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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]methanone Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)OC)OC

InChI

InChI=1S/C27H32N4O3/c1-19-15-25(33-2)26(34-3)16-21(19)18-29-11-13-30(14-12-29)27(32)24-17-23(20-9-10-20)28-31(24)22-7-5-4-6-8-22/h4-8,15-17,20H,9-14,18H2,1-3H3/p+1