methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-(4-quinolinylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=NC3=CC=CC=C23)NC(=O)C4CCCCC4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=NC3=CC=CC=C23)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)21-13-18(25-22(27)16-7-3-2-4-8-16)15-26(21)14-17-11-12-24-20-10-6-5-9-19(17)20/h5-6,9-12,16,18,21H,2-4,7-8,13-15H2,1H3,(H,25,27)/p+1/t18-,21-/m0/s1