1-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C18H29N6+ MolecularWeight: 329.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N6/c1-14(2)24-18(6-7-19-24)23-15(3)12-17(16(23)4)13-20-22-10-8-21(5)9-11-22/h6-7,12-14H,8-11H2,1-5H3/p+1/b20-13-