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

Systemtic Name: 2-azanyl-1-(2,3-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Openeye Name: 2-amino-1-(2,3-dimethylphenyl)-N-(2-morpholinoethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide CAS Name: 2-amino-1-(2,3-dimethylphenyl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[2,3-b]quinoxalin-9-iumcarboxamide IUPAC Name: 2-amino-1-(2,3-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Traditional Name: 2-amino-1-(2,3-dimethylphenyl)-N-(2-morpholinoethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2/c1-16-6-5-9-20(17(16)2)31-23(26)21(25(32)27-10-11-30-12-14-33-15-13-30)22-24(31)29-19-8-4-3-7-18(19)28-22/h3-9H,10-15,26H2,1-2H3,(H,27,32)/p+1