2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H39N6O2+ MolecularWeight: 467.62686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC[NH+]4CCOCC4)N

InChI

InChI=1S/C26H38N6O2/c1-18(2)8-6-9-19(3)28-26(33)22-23-25(30-21-11-5-4-10-20(21)29-23)32(24(22)27)13-7-12-31-14-16-34-17-15-31/h4-5,10-11,18-19H,6-9,12-17,27H2,1-3H3,(H,28,33)/p+1/t19-/m0/s1