(3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(3,5-dimethoxybenzyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCCC(C2)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O2/c1-23-19-11-16(12-20(13-19)24-2)14-22-10-6-9-18(15-22)21-17-7-4-3-5-8-17/h3-5,7-8,11-13,18,21H,6,9-10,14-15H2,1-2H3/p+1/t18-/m0/s1