2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyridin-3-ylethanoyl)piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyridin-3-ylethanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[2-(3-pyridyl)acetyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[1-oxo-2-(3-pyridinyl)ethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[2-(3-pyridyl)acetyl]-3-piperidyl]ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-25(13-10-18-8-9-21(28-2)22(14-18)29-3)20-7-5-12-26(17-20)23(27)15-19-6-4-11-24-16-19/h4,6,8-9,11,14,16,20H,5,7,10,12-13,15,17H2,1-3H3/p+1/t20-/m0/s1