methyl (2S,4R)-1-(naphthalen-1-ylmethyl)-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(naphthalen-1-ylmethyl)-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-(1-naphthylmethyl)-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-(1-naphthalenylmethyl)-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(naphthalen-1-ylmethyl)-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(1-naphthylmethyl)-4-(quinaldoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=CC3=CC=CC=C32)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=CC3=CC=CC=C32)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O3/c1-33-27(32)25-15-21(28-26(31)24-14-13-19-8-3-5-12-23(19)29-24)17-30(25)16-20-10-6-9-18-7-2-4-11-22(18)20/h2-14,21,25H,15-17H2,1H3,(H,28,31)/p+1/t21-,25+/m1/s1