[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

InChI

InChI=1S/C23H26N4O/c1-18-4-3-5-20(16-18)17-25-12-14-26(15-13-25)23(28)21-6-8-22(9-7-21)27-19(2)10-11-24-27/h3-11,16H,12-15,17H2,1-2H3/p+1