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

Systemtic Name: 2-methyl-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide Openeye Name: 2-methyl-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide CAS Name: 2-methyl-N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]propanamide IUPAC Name: 2-methyl-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide Traditional Name: 2-methyl-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propionamide Formula: C23H32N6O+2 MolecularWeight: 408.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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