ethyl (3S)-1-(cyclopropylmethyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(cyclopropylmethyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(cyclopropylmethyl)-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(cyclopropylmethyl)-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(cyclopropylmethyl)-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(cyclopropylmethyl)-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H29NO2/c1-3-23-19(22)20(13-18-8-5-4-7-16(18)2)11-6-12-21(15-20)14-17-9-10-17/h4-5,7-8,17H,3,6,9-15H2,1-2H3/p+1/t20-/m0/s1