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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-22-9-7-20(8-10-22)16-25-11-13-26(14-12-25)23(28)21-15-24-27(18-21)17-19-5-3-2-4-6-19/h2-10,15,18H,11-14,16-17H2,1H3/p+1