[(3S)-3-(phenylmethyl)-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(phenylmethyl)-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(4-isopropoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(phenylmethyl)-1-[(4-propan-2-yloxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-(4-isopropoxybenzyl)piperidin-1-ium-3-yl]methanol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC[C@@](C2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C23H31NO2/c1-19(2)26-22-11-9-21(10-12-22)16-24-14-6-13-23(17-24,18-25)15-20-7-4-3-5-8-20/h3-5,7-12,19,25H,6,13-18H2,1-2H3/p+1/t23-/m0/s1