(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: homoveratryl-methyl-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2/c1-24(14-10-18-6-7-21(26-2)22(15-18)27-3)20-5-4-13-25(17-20)16-19-8-11-23-12-9-19/h6-9,11-12,15,20H,4-5,10,13-14,16-17H2,1-3H3/p+1/t20-/m0/s1