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

Systemtic Name: N-(4-methoxyphenyl)-1-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(4-methoxyphenyl)-1-[(3S)-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=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-29-20-8-6-19(7-9-20)25-22(27)16-10-12-26(13-11-16)23(28)21-14-17-4-2-3-5-18(17)15-24-21/h2-9,16,21,24H,10-15H2,1H3,(H,25,27)/p+1/t21-/m0/s1