3-ethyl-1-methyl-1-[[3-(propan-2-ylamino)pyridin-2-yl]amino]indol-1-ium-2-carboxylate

Systemtic Name: 3-ethyl-1-methyl-1-[[3-(propan-2-ylamino)pyridin-2-yl]amino]indol-1-ium-2-carboxylate Openeye Name: 3-ethyl-1-[[3-(isopropylamino)-2-pyridyl]amino]-1-methyl-indol-1-ium-2-carboxylate CAS Name: 3-ethyl-1-methyl-1-[[3-(propan-2-ylamino)-2-pyridinyl]amino]-2-indol-1-iumcarboxylate IUPAC Name: 3-ethyl-1-methyl-1-[[3-(propan-2-ylamino)pyridin-2-yl]amino]indol-1-ium-2-carboxylate Traditional Name: 3-ethyl-1-[[3-(isopropylamino)-2-pyridyl]amino]-1-methyl-indol-1-ium-2-carboxylate Formula: C20H24N4O2 MolecularWeight: 352.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](C2=CC=CC=C21)(C)NC3=C(C=CC=N3)NC(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C([N+](C2=CC=CC=C21)(C)NC3=C(C=CC=N3)NC(C)C)C(=O)[O-]

InChI

InChI=1S/C20H24N4O2/c1-5-14-15-9-6-7-11-17(15)24(4,18(14)20(25)26)23-19-16(22-13(2)3)10-8-12-21-19/h6-13,22H,5H2,1-4H3,(H-,21,23,25,26)