1-[(4-dimethylaminophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H27N3O2/c1-21(2)17-8-6-15(7-9-17)19(18-5-4-12-22(18)3)23-13-10-16(11-14-23)20(24)25/h4-9,12,16,19H,10-11,13-14H2,1-3H3,(H,24,25)