ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-morpholin-4-ium-4-ylpropanoyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(3-morpholin-4-ium-4-ylpropanoyl)nipecotic acid ethyl ester Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H34N2O4/c1-3-29-22(27)23(17-20-8-5-4-7-19(20)2)10-6-11-25(18-23)21(26)9-12-24-13-15-28-16-14-24/h4-5,7-8H,3,6,9-18H2,1-2H3/p+1/t23-/m0/s1