[(3S)-3-[(3-methoxyphenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-m-anisyl-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanol Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@]2(CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3)CO

InChI

InChI=1S/C24H28N2O2/c1-28-22-8-4-6-19(14-22)15-24(18-27)12-5-13-26(17-24)16-21-11-10-20-7-2-3-9-23(20)25-21/h2-4,6-11,14,27H,5,12-13,15-18H2,1H3/p+1/t24-/m0/s1