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

Systemtic Name: methyl (2S,4S)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(5-chloro-3-phenyl-1H-indol-2-yl)-oxomethyl]amino]-1-(1-methyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(1-methylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H33ClN4O3+2 MolecularWeight: 497.02892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)OC)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H31ClN4O3/c1-31-12-10-20(11-13-31)32-16-19(15-23(32)27(34)35-2)29-26(33)25-24(17-6-4-3-5-7-17)21-14-18(28)8-9-22(21)30-25/h3-9,14,19-20,23,30H,10-13,15-16H2,1-2H3,(H,29,33)/p+2/t19-,23-/m0/s1