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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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