6-[3,5-dimethyl-1-(triphenylmethyl)pyrazol-1-ium-1-yl]-4-(4-methylpiperazin-1-yl)quinoline

Systemtic Name: 6-[3,5-dimethyl-1-(triphenylmethyl)pyrazol-1-ium-1-yl]-4-(4-methylpiperazin-1-yl)quinoline Openeye Name: 6-(3,5-dimethyl-1-trityl-pyrazol-1-ium-1-yl)-4-(4-methylpiperazin-1-yl)quinoline CAS Name: 6-[3,5-dimethyl-1-(triphenylmethyl)-1-pyrazol-1-iumyl]-4-(4-methyl-1-piperazinyl)quinoline IUPAC Name: 6-(3,5-dimethyl-1-tritylpyrazol-1-ium-1-yl)-4-(4-methylpiperazin-1-yl)quinoline Traditional Name: 6-(3,5-dimethyl-1-trityl-pyrazol-1-ium-1-yl)-4-(4-methylpiperazino)quinoline Formula: C38H38N5+ MolecularWeight: 564.74182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(C2=CC3=C(C=CN=C3C=C2)N4CCN(CC4)C)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C

Isomeric SMILES

CC1=CC(=N[N+]1(C2=CC3=C(C=CN=C3C=C2)N4CCN(CC4)C)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C

InChI

InChI=1S/C38H38N5/c1-29-27-30(2)43(40-29,34-19-20-36-35(28-34)37(21-22-39-36)42-25-23-41(3)24-26-42)38(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-22,27-28H,23-26H2,1-3H3/q+1