methyl (2S,4R)-4-[(2,3-dimethyl-1H-indol-7-yl)carbonylamino]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(2,3-dimethyl-1H-indol-7-yl)carbonylamino]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-benzyl-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(2,3-dimethyl-1H-indol-7-yl)-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-benzyl-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-benzyl-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=CC=C2C(=O)NC3CC([NH+](C3)CC4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=CC=C2C(=O)N[C@@H]3C[C@H]([NH+](C3)CC4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C24H27N3O3/c1-15-16(2)25-22-19(15)10-7-11-20(22)23(28)26-18-12-21(24(29)30-3)27(14-18)13-17-8-5-4-6-9-17/h4-11,18,21,25H,12-14H2,1-3H3,(H,26,28)/p+1/t18-,21+/m1/s1