2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(6-methylpyridin-3-yl)carbonylpiperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(6-methylpyridin-3-yl)carbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(6-methylpyridine-3-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(6-methyl-3-pyridinyl)-oxomethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(6-methylnicotinoyl)-3-piperidyl]ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-17-7-9-19(15-24-17)23(27)26-12-5-6-20(16-26)25(2)13-11-18-8-10-21(28-3)22(14-18)29-4/h7-10,14-15,20H,5-6,11-13,16H2,1-4H3/p+1/t20-/m0/s1