3-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-cyclohexyl-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazine-1,4-diium-1-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-cyclohexyl-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazine-1,4-diium-1-yl]-1H-benzimidazol-2-one Openeye Name: 3-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-cyclohexyl-3-(oxomethylene)-1-(4-pyridyl)piperazine-1,4-diium-1-yl]-1H-benzimidazol-2-one CAS Name: 3-[4-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-cyclohexyl-3-(oxomethylidene)-1-pyridin-4-yl-1-piperazine-1,4-diiumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-cyclohexyl-3-(oxomethylidene)-1-pyridin-4-ylpiperazine-1,4-diium-1-yl]-1H-benzimidazol-2-one Traditional Name: 3-[4-cyclohexyl-3-(ketomethylene)-1-(4-pyridyl)-4-tyrosyl-piperazine-1,4-diium-1-yl]-1H-benzimidazol-2-one Formula: C32H36N6O4+2 MolecularWeight: 568.66604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(CC[N+](CC2=C=O)(C3=CC=NC=C3)N4C5=CC=CC=C5NC4=O)C(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

C1CCC(CC1)[N+]2(CC[N+](CC2=C=O)(C3=CC=NC=C3)N4C5=CC=CC=C5NC4=O)C(=O)C(CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C32H34N6O4/c33-28(20-23-10-12-27(40)13-11-23)31(41)38(25-6-2-1-3-7-25)19-18-37(21-26(38)22-39,24-14-16-34-17-15-24)36-30-9-5-4-8-29(30)35-32(36)42/h4-5,8-17,25,28H,1-3,6-7,18-21,33H2/p+2