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

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-quinolylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-quinolinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: homoveratryl-methyl-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]amine Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C26H33N3O2/c1-28(16-13-20-10-11-25(30-2)26(17-20)31-3)22-7-6-15-29(19-22)18-21-12-14-27-24-9-5-4-8-23(21)24/h4-5,8-12,14,17,22H,6-7,13,15-16,18-19H2,1-3H3/p+1/t22-/m0/s1