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

Systemtic Name: 3-methyl-N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide Openeye Name: 3-methyl-N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide CAS Name: 3-methyl-N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]butanamide IUPAC Name: 3-methyl-N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butanamide Traditional Name: 3-methyl-N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]butyramide Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O/c1-19(2)17-25(31)26-20-9-10-23-22(18-20)27-24(28(23)3)11-12-29-13-15-30(16-14-29)21-7-5-4-6-8-21/h4-10,18-19H,11-17H2,1-3H3,(H,26,31)/p+1