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

Systemtic Name: methyl (2S,4R)-4-[(5-chloranyl-3-methyl-1H-indol-2-yl)carbonylamino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(5-chloro-3-methyl-1H-indol-2-yl)-oxomethyl]amino]-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C25H29ClN3O3+ MolecularWeight: 454.96906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NC3CC([NH+](C3)CCCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)N[C@@H]3C[C@H]([NH+](C3)CCCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H28ClN3O3/c1-16-20-13-18(26)10-11-21(20)28-23(16)24(30)27-19-14-22(25(31)32-2)29(15-19)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19,22,28H,6,9,12,14-15H2,1-2H3,(H,27,30)/p+1/t19-,22+/m1/s1