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

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]butanamide Openeye Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]butanamide CAS Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]butanamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]butanamide Traditional Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]butyramide Formula: C25H34N5O+ MolecularWeight: 420.57036

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O/c1-4-5-25(31)26-20-8-11-23-22(18-20)27-24(28(23)3)12-13-29-14-16-30(17-15-29)21-9-6-19(2)7-10-21/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,31)/p+1