3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-piperazin-4-ium-1-yl-quinoxaline

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-piperazin-4-ium-1-yl-quinoxaline Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-piperazin-4-ium-1-yl-quinoxaline CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-(1-piperazin-4-iumyl)quinoxaline IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-piperazin-4-ium-1-ylquinoxaline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-piperazin-4-ium-1-yl-quinoxaline Formula: C18H23N6+ MolecularWeight: 323.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)N3C(=CC(=N3)C)C)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)N3C(=CC(=N3)C)C)N4CC[NH2+]CC4

InChI

InChI=1S/C18H22N6/c1-12-4-5-15-16(10-12)21-18(24-14(3)11-13(2)22-24)17(20-15)23-8-6-19-7-9-23/h4-5,10-11,19H,6-9H2,1-3H3/p+1