[(3S)-1-(2,6-dimethoxypyridin-3-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-(2,6-dimethoxypyridin-3-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-(2,6-dimethoxypyridine-3-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-(2,6-dimethoxynicotinoyl)-3-piperidyl]-methyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=C(N=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=C(N=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O3/c1-23(14-16-8-5-4-6-9-16)17-10-7-13-24(15-17)21(25)18-11-12-19(26-2)22-20(18)27-3/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3/p+1/t17-/m0/s1