methyl 4-[[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(S)-hydroxy(phenyl)methyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO3/c1-25-21(24)19-9-7-16(8-10-19)15-22-13-11-18(12-14-22)20(23)17-5-3-2-4-6-17/h2-10,18,20,23H,11-15H2,1H3/p+1/t20-/m1/s1