3-[2-[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 3-[2-[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate Openeye Name: 3-[2-[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[2-[(1-ethyl-2-pyrrolidin-1-iumyl)methylamino]-2-oxoethyl]-1-methyl-2-indolecarboxylate IUPAC Name: 3-[2-[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-[(1-ethylpyrrolidin-1-ium-2-yl)methylamino]-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)[O-]

InChI

InChI=1S/C19H25N3O3/c1-3-22-10-6-7-13(22)12-20-17(23)11-15-14-8-4-5-9-16(14)21(2)18(15)19(24)25/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,20,23)(H,24,25)