methyl 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]benzoate CAS Name: 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amino]methyl]benzoic acid methyl ester Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O2/c1-27-23(26)18-10-8-17(9-11-18)15-24-21-7-4-12-25(16-21)22-13-19-5-2-3-6-20(19)14-22/h2-3,5-6,8-11,21-22,24H,4,7,12-16H2,1H3/p+1/t21-/m0/s1