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

Systemtic Name: prop-2-enyl 2-azanyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H26N5O3+ MolecularWeight: 396.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-2-12-29-21(27)17-18-20(24-16-7-4-3-6-15(16)23-18)26(19(17)22)9-5-8-25-10-13-28-14-11-25/h2-4,6-7H,1,5,8-14,22H2/p+1