2-azanyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Openeye Name: 2-amino-N-(2-morpholinoethyl)-1-(m-tolyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide CAS Name: 2-amino-1-(3-methylphenyl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[2,3-b]quinoxalin-9-iumcarboxamide IUPAC Name: 2-amino-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Traditional Name: 2-amino-N-(2-morpholinoethyl)-1-(m-tolyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4[NH+]=C32)C(=O)NCCN5CCOCC5)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4[NH+]=C32)C(=O)NCCN5CCOCC5)N

InChI

InChI=1S/C24H26N6O2/c1-16-5-4-6-17(15-16)30-22(25)20(24(31)26-9-10-29-11-13-32-14-12-29)21-23(30)28-19-8-3-2-7-18(19)27-21/h2-8,15H,9-14,25H2,1H3,(H,26,31)/p+1