2-azanyl-N-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)-N-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)-N-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+]5CCOCC5)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+]5CCOCC5)N

InChI

InChI=1S/C25H28N6O2/c1-17-7-9-18(10-8-17)27-25(32)21-22-24(29-20-6-3-2-5-19(20)28-22)31(23(21)26)12-4-11-30-13-15-33-16-14-30/h2-3,5-10H,4,11-16,26H2,1H3,(H,27,32)/p+1