[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: (1-phenylpyrazol-4-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-29-21-9-8-18(14-22(21)30-2)16-25-10-12-26(13-11-25)23(28)19-15-24-27(17-19)20-6-4-3-5-7-20/h3-9,14-15,17H,10-13,16H2,1-2H3/p+1