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

Systemtic Name: methyl 2-azanyl-1-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-25-18(24)14-15-17(21-13-5-3-2-4-12(13)20-15)23(16(14)19)7-6-22-8-10-26-11-9-22/h2-5H,6-11,19H2,1H3/p+1