N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H31N3O/c1-19-17-22(27-15-5-6-16-27)11-12-23(19)25-24(28)21-9-7-20(8-10-21)18-26-13-3-2-4-14-26/h7-12,17H,2-6,13-16,18H2,1H3,(H,25,28)/p+1