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

Systemtic Name: 2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H37N6O2+ MolecularWeight: 453.60028

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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)CC[NH+]4CCOCC4)N

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O2/c1-17(2)7-6-8-18(3)27-25(32)21-22-24(29-20-10-5-4-9-19(20)28-22)31(23(21)26)12-11-30-13-15-33-16-14-30/h4-5,9-10,17-18H,6-8,11-16,26H2,1-3H3,(H,27,32)/p+1/t18-/m0/s1