[(3S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-3-yl]methanol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC[C@@](C2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C23H31NO2/c1-18-19(2)22(26-3)11-10-21(18)15-24-13-7-12-23(16-24,17-25)14-20-8-5-4-6-9-20/h4-6,8-11,25H,7,12-17H2,1-3H3/p+1/t23-/m0/s1