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

Systemtic Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(2,3-dimethyl-1H-indol-5-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-(cyclohexylmethyl)-4-[[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(cyclohexylmethyl)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC3CC([NH+](C3)CC4CCCCC4)C(=O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@@H]3C[C@H]([NH+](C3)CC4CCCCC4)C(=O)OC)C

InChI

InChI=1S/C24H33N3O3/c1-15-16(2)25-21-10-9-18(11-20(15)21)23(28)26-19-12-22(24(29)30-3)27(14-19)13-17-7-5-4-6-8-17/h9-11,17,19,22,25H,4-8,12-14H2,1-3H3,(H,26,28)/p+1/t19-,22+/m1/s1