methyl (2S,4S)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(1-ethylpiperidin-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-ethylpiperidin-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-ethylpiperidin-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-ethyl-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-ethylpiperidin-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-ethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H35ClN4O3+2 MolecularWeight: 511.0555

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C28H33ClN4O3/c1-3-32-13-11-21(12-14-32)33-17-20(16-24(33)28(35)36-2)30-27(34)26-25(18-7-5-4-6-8-18)22-15-19(29)9-10-23(22)31-26/h4-10,15,20-21,24,31H,3,11-14,16-17H2,1-2H3,(H,30,34)/p+2/t20-,24-/m0/s1