methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-(2-naphthylmethyl)-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[3-(4-methylphenyl)-1-oxopropyl]amino]-1-(2-naphthalenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[3-(4-methylphenyl)propanoylamino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2-naphthylmethyl)-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2CC([NH+](C2)CC3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N[C@@H]2C[C@H]([NH+](C2)CC3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C27H30N2O3/c1-19-7-9-20(10-8-19)12-14-26(30)28-24-16-25(27(31)32-2)29(18-24)17-21-11-13-22-5-3-4-6-23(22)15-21/h3-11,13,15,24-25H,12,14,16-18H2,1-2H3,(H,28,30)/p+1/t24-,25+/m1/s1