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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C24H28ClN4O3+ MolecularWeight: 455.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O3/c1-17-22(23(25)29(26-17)19-7-5-4-6-8-19)24(30)28-13-11-27(12-14-28)16-18-9-10-20(31-2)21(15-18)32-3/h4-10,15H,11-14,16H2,1-3H3/p+1