propan-2-yl 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: propan-2-yl 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopropyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isopropyl ester Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-14(2)29-21(27)17-18-20(24-16-7-4-3-6-15(16)23-18)26(19(17)22)9-5-8-25-10-12-28-13-11-25/h3-4,6-7,14H,5,8-13,22H2,1-2H3/p+1