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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]methanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H30N4O2/c1-19-8-11-25(32-2)21(16-19)18-28-12-14-29(15-13-28)26(31)24-17-23(20-9-10-20)27-30(24)22-6-4-3-5-7-22/h3-8,11,16-17,20H,9-10,12-15,18H2,1-2H3/p+1