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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-2-3-12-29-21(27)17-18-20(24-16-7-5-4-6-15(16)23-18)26(19(17)22)9-8-25-10-13-28-14-11-25/h4-7H,2-3,8-14,22H2,1H3/p+1