1-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]indole-2-carboxylate

Systemtic Name: 1-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]indole-2-carboxylate Openeye Name: 1-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]indole-2-carboxylate CAS Name: 1-methyl-3-[2-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxoethyl]-2-indolecarboxylate IUPAC Name: 1-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]indole-2-carboxylate Traditional Name: 3-[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]-1-methyl-indole-2-carboxylate Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O4/c1-20-15-5-3-2-4-13(15)14(17(20)18(23)24)12-16(22)19-6-7-21-8-10-25-11-9-21/h2-5H,6-12H2,1H3,(H,19,22)(H,23,24)