1-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(5-chloro-1-m-anisyl-3-methyl-pyrazol-4-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)C)Cl)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)Cl)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H24ClN5O/c1-14-17(12-20-23-9-7-22(2)8-10-23)18(19)24(21-14)13-15-5-4-6-16(11-15)25-3/h4-6,11-12H,7-10,13H2,1-3H3/p+1/b20-12-