3-[2-bromanyl-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-1-ium-1-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[2-bromanyl-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-1-ium-1-yl]-1H-benzimidazol-2-one Openeye Name: 3-[2-bromo-4-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-3-(oxomethylene)-1-(4-pyridyl)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one CAS Name: 3-[2-bromo-4-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-3-(oxomethylidene)-1-pyridin-4-yl-1-piperazin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[2-bromo-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-1-ium-1-yl]-1H-benzimidazol-2-one Traditional Name: 3-[2-bromo-4-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-3-(ketomethylene)-1-(4-pyridyl)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one Formula: C31H33BrN7O4+ MolecularWeight: 647.54222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC[N+](C(C3=C=O)Br)(C4=CC=NC=C4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC[N+](C(C3=C=O)Br)(C4=CC=NC=C4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C31H32BrN7O4/c32-29-28(21-40)37(30(42)26(35-36-16-4-1-5-17-36)20-22-8-10-24(41)11-9-22)18-19-39(29,23-12-14-33-15-13-23)38-27-7-3-2-6-25(27)34-31(38)43/h2-3,6-15,26,29,35H,1,4-5,16-20H2,(H-,34,41,43)/p+1