N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]pentanamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]valeramide Formula: C24H34N6O+2 MolecularWeight: 422.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CC[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CC[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C24H32N6O/c1-3-4-8-24(31)26-19-9-10-21-20(18-19)27-23(28(21)2)11-13-29-14-16-30(17-15-29)22-7-5-6-12-25-22/h5-7,9-10,12,18H,3-4,8,11,13-17H2,1-2H3,(H,26,31)/p+2