[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-18-7-5-6-8-19(18)16-24-11-13-25(14-12-24)22(27)20-15-23-26(17-20)21-9-3-2-4-10-21/h2-10,15,17H,11-14,16H2,1H3/p+1