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

Systemtic Name: 2-azanyl-1-(4-butoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-butoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-butoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-butoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-butoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC[NH+]5CCOCC5)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC[NH+]5CCOCC5)N

InChI

InChI=1S/C27H32N6O3/c1-2-3-16-36-20-10-8-19(9-11-20)33-25(28)23(27(34)29-12-13-32-14-17-35-18-15-32)24-26(33)31-22-7-5-4-6-21(22)30-24/h4-11H,2-3,12-18,28H2,1H3,(H,29,34)/p+1