methyl (2S,4S)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(5-chloro-3-phenyl-1H-indol-2-yl)-oxomethyl]amino]-1-(cyclohexylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H33ClN3O3+ MolecularWeight: 495.03292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H32ClN3O3/c1-35-28(34)24-15-21(17-32(24)16-18-8-4-2-5-9-18)30-27(33)26-25(19-10-6-3-7-11-19)22-14-20(29)12-13-23(22)31-26/h3,6-7,10-14,18,21,24,31H,2,4-5,8-9,15-17H2,1H3,(H,30,33)/p+1/t21-,24-/m0/s1