(3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-amine Traditional Name: benzyl-methyl-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]amine Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H30N2O2/c1-23(15-18-9-5-4-6-10-18)20-12-8-14-24(17-20)16-19-11-7-13-21(25-2)22(19)26-3/h4-7,9-11,13,20H,8,12,14-17H2,1-3H3/p+1/t20-/m0/s1