N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)N=C1C

InChI

InChI=1S/C25H31N5O2/c1-18-19(2)28-24-17-20(5-10-23(24)27-18)25(31)26-11-4-12-29-13-15-30(16-14-29)21-6-8-22(32-3)9-7-21/h5-10,17H,4,11-16H2,1-3H3,(H,26,31)/p+1