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

Systemtic Name: 2-azanyl-1-butyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-butyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-butyl-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-butyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-butyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC[NH+]4CCOCC4)N

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC[NH+]4CCOCC4)N

InChI

InChI=1S/C21H28N6O2/c1-2-3-9-27-19(22)17(21(28)23-8-10-26-11-13-29-14-12-26)18-20(27)25-16-7-5-4-6-15(16)24-18/h4-7H,2-3,8-14,22H2,1H3,(H,23,28)/p+1