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

Systemtic Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indol-5-yl)carbonylamino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]amino]-1-(1-phenethyl-4-piperidin-1-iumyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxylic acid methyl ester Formula: C30H39N4O3+ MolecularWeight: 503.65566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC3CC(N(C3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C(=O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@H]3C[C@H](N(C3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C(=O)OC)C

InChI

InChI=1S/C30H38N4O3/c1-20-21(2)31-27-10-9-23(17-26(20)27)29(35)32-24-18-28(30(36)37-3)34(19-24)25-12-15-33(16-13-25)14-11-22-7-5-4-6-8-22/h4-10,17,24-25,28,31H,11-16,18-19H2,1-3H3,(H,32,35)/p+1/t24-,28-/m0/s1