[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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