4-bromanyl-N-[3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[(2-morpholinopyridin-1-ium-3-yl)methylamino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[(2-morpholinopyridin-1-ium-3-yl)methylamino]propyl]benzamide Formula: C20H24BrN4O3+ MolecularWeight: 448.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O3/c21-17-5-3-15(4-6-17)20(27)23-9-7-18(26)24-14-16-2-1-8-22-19(16)25-10-12-28-13-11-25/h1-6,8H,7,9-14H2,(H,23,27)(H,24,26)/p+1