(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)OC

InChI

InChI=1S/C26H30N4O3/c1-32-24-11-8-19(16-25(24)33-2)18-28-12-14-29(15-13-28)26(31)23-17-22(20-9-10-20)27-30(23)21-6-4-3-5-7-21/h3-8,11,16-17,20H,9-10,12-15,18H2,1-2H3/p+1