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

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]butanamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butyramide Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-3-7-24(30)25-19-10-11-22-21(18-19)26-23(27(22)2)12-13-28-14-16-29(17-15-28)20-8-5-4-6-9-20/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,25,30)/p+1