ethyl 2-azanyl-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N5CC[NH+](CC5)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N5CC[NH+](CC5)C)N

InChI

InChI=1S/C24H26N6O2/c1-3-32-24(31)20-21-23(27-19-7-5-4-6-18(19)26-21)30(22(20)25)17-10-8-16(9-11-17)29-14-12-28(2)13-15-29/h4-11H,3,12-15,25H2,1-2H3/p+1