1-methyl-3-[2-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylamino)ethyl]indole-2-carboxylate

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylamino)ethyl]indole-2-carboxylate Openeye Name: 1-methyl-3-[2-oxo-2-(2-pyrrolidin-1-ium-1-ylethylamino)ethyl]indole-2-carboxylate CAS Name: 1-methyl-3-[2-oxo-2-[2-(1-pyrrolidin-1-iumyl)ethylamino]ethyl]-2-indolecarboxylate IUPAC Name: 1-methyl-3-[2-oxo-2-(2-pyrrolidin-1-ium-1-ylethylamino)ethyl]indole-2-carboxylate Traditional Name: 3-[2-keto-2-(2-pyrrolidin-1-ium-1-ylethylamino)ethyl]-1-methyl-indole-2-carboxylate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C18H23N3O3/c1-20-15-7-3-2-6-13(15)14(17(20)18(23)24)12-16(22)19-8-11-21-9-4-5-10-21/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,23,24)