methyl 4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]benzoate CAS Name: 4-[[[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amino]methyl]benzoic acid methyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-26-21-7-3-5-18(13-21)15-24-12-4-6-20(16-24)23-14-17-8-10-19(11-9-17)22(25)27-2/h3,5,7-11,13,20,23H,4,6,12,14-16H2,1-2H3/p+1/t20-/m0/s1