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

Systemtic Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indol-5-yl)carbonylamino]-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]amino]-1-(4-quinolinylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(quinolin-4-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(4-quinolylmethyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC3CC([NH+](C3)CC4=CC=NC5=CC=CC=C45)C(=O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@H]3C[C@H]([NH+](C3)CC4=CC=NC5=CC=CC=C45)C(=O)OC)C

InChI

InChI=1S/C27H28N4O3/c1-16-17(2)29-24-9-8-18(12-22(16)24)26(32)30-20-13-25(27(33)34-3)31(15-20)14-19-10-11-28-23-7-5-4-6-21(19)23/h4-12,20,25,29H,13-15H2,1-3H3,(H,30,32)/p+1/t20-,25-/m0/s1