N-(3-methoxyphenyl)-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: N-(3-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(3-methoxyphenyl)-1-[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(3-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]isonipecotamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4C[NH2+]3

InChI

InChI=1S/C23H27N3O3/c1-29-20-8-4-7-19(14-20)25-22(27)16-9-11-26(12-10-16)23(28)21-13-17-5-2-3-6-18(17)15-24-21/h2-8,14,16,21,24H,9-13,15H2,1H3,(H,25,27)/p+1/t21-/m1/s1