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

Systemtic Name: ethyl 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H26N5O3+ MolecularWeight: 384.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-2-28-20(26)16-17-19(23-15-7-4-3-6-14(15)22-17)25(18(16)21)9-5-8-24-10-12-27-13-11-24/h3-4,6-7H,2,5,8-13,21H2,1H3/p+1