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

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]propanamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propanamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]propionamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-3-23(29)24-18-9-10-21-20(17-18)25-22(26(21)2)11-12-27-13-15-28(16-14-27)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,24,29)/p+1