1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C18H26N5+ MolecularWeight: 312.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5/c1-15-18(13-19-22-11-9-21(3)10-12-22)16(2)23(20-15)14-17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3/p+1/b19-13-