1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C27H30N5+ MolecularWeight: 424.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N\N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N5/c1-21-27(22(2)32(29-21)25-12-4-3-5-13-25)19-28-31-17-15-30(16-18-31)20-24-11-8-10-23-9-6-7-14-26(23)24/h3-14,19H,15-18,20H2,1-2H3/p+1/b28-19-