1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]isonipecotamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O2/c24-22(27)19-10-13-26(14-11-19)23(28)20-7-5-17(6-8-20)15-25-12-9-18-3-1-2-4-21(18)16-25/h1-8,19H,9-16H2,(H2,24,27)/p+1