2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxypyridin-3-yl)carbonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxypyridin-3-yl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxypyridine-3-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-methoxy-3-pyridinyl)-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]-methylazanium Traditional Name: homoveratryl-[(3S)-1-(2-methoxynicotinoyl)-3-piperidyl]-methyl-ammonium Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=C(N=CC=C3)OC

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=C(N=CC=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-25(14-11-17-9-10-20(28-2)21(15-17)29-3)18-7-6-13-26(16-18)23(27)19-8-5-12-24-22(19)30-4/h5,8-10,12,15,18H,6-7,11,13-14,16H2,1-4H3/p+1/t18-/m0/s1