[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1-benzylpyrazol-4-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1-benzylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1-benzylpyrazol-4-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(21-15-23-26(18-21)17-20-9-5-2-6-10-20)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2/p+1