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

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]pentanamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]pentanamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]valeramide Formula: C25H34N5O+ MolecularWeight: 420.57036

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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=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O/c1-3-4-10-25(31)26-20-11-12-23-22(19-20)27-24(28(23)2)13-14-29-15-17-30(18-16-29)21-8-6-5-7-9-21/h5-9,11-12,19H,3-4,10,13-18H2,1-2H3,(H,26,31)/p+1