2-azanyl-1-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC[NH+]5CCOCC5)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC[NH+]5CCOCC5)N)C

InChI

InChI=1S/C25H28N6O2/c1-16-7-8-18(15-17(16)2)31-23(26)21(25(32)27-9-10-30-11-13-33-14-12-30)22-24(31)29-20-6-4-3-5-19(20)28-22/h3-8,15H,9-14,26H2,1-2H3,(H,27,32)/p+1