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

Systemtic Name: 2-azanyl-N-[(2-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[(2-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2-methoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2-methoxyphenyl)methyl]-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-o-anisyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H31N6O3+ MolecularWeight: 475.56274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+]5CCOCC5)N

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+]5CCOCC5)N

InChI

InChI=1S/C26H30N6O3/c1-34-21-10-5-2-7-18(21)17-28-26(33)22-23-25(30-20-9-4-3-8-19(20)29-23)32(24(22)27)12-6-11-31-13-15-35-16-14-31/h2-5,7-10H,6,11-17,27H2,1H3,(H,28,33)/p+1