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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]butanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]butanamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]butanamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]butanamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]butyramide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H30N6O/c1-3-6-23(30)25-18-8-9-20-19(17-18)26-22(27(20)2)10-12-28-13-15-29(16-14-28)21-7-4-5-11-24-21/h4-5,7-9,11,17H,3,6,10,12-16H2,1-2H3,(H,25,30)/p+1