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

Systemtic Name: 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: N-allyl-2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[3-(4-morpholin-4-iumyl)propyl]-N-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: N-allyl-2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH+]4CCOCC4)N

Isomeric SMILES

C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH+]4CCOCC4)N

InChI

InChI=1S/C21H26N6O2/c1-2-8-23-21(28)17-18-20(25-16-7-4-3-6-15(16)24-18)27(19(17)22)10-5-9-26-11-13-29-14-12-26/h2-4,6-7H,1,5,8-14,22H2,(H,23,28)/p+1