methyl 1-[2-oxidanylidene-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]indole-3-carboxylic acid methyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O3/c1-30-24(29)20-16-27(21-12-6-5-11-19(20)21)17-23(28)25-15-22(26-13-7-8-14-26)18-9-3-2-4-10-18/h2-6,9-12,16,22H,7-8,13-15,17H2,1H3,(H,25,28)/p+1/t22-/m0/s1