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

Systemtic Name: methyl 3-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-methyl-carbamoyl]benzoate Openeye Name: methyl 3-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-methyl-carbamoyl]benzoate CAS Name: 3-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-methylcarbamoyl]benzoate Traditional Name: 3-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-methyl-carbamoyl]benzoic acid methyl ester Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C24H28N2O3/c1-25(23(27)19-9-5-10-20(13-19)24(28)29-2)21-11-6-12-26(16-21)22-14-17-7-3-4-8-18(17)15-22/h3-5,7-10,13,21-22H,6,11-12,14-16H2,1-2H3/p+1/t21-/m0/s1