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

Systemtic Name: 2-azanyl-1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Openeye Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(2-morpholinoethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide CAS Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[2,3-b]quinoxalin-9-iumcarboxamide IUPAC Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Traditional Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(2-morpholinoethyl)pyrrolo[2,3-b]quinoxalin-9-ium-3-carboxamide Formula: C25H29N6O4+ MolecularWeight: 477.53556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4[NH+]=C32)C(=O)NCCN5CCOCC5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4[NH+]=C32)C(=O)NCCN5CCOCC5)N)OC

InChI

InChI=1S/C25H28N6O4/c1-33-19-8-7-16(15-20(19)34-2)31-23(26)21(25(32)27-9-10-30-11-13-35-14-12-30)22-24(31)29-18-6-4-3-5-17(18)28-22/h3-8,15H,9-14,26H2,1-2H3,(H,27,32)/p+1