[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C20H27ClN4O/c1-4-9-23-10-12-24(13-11-23)20(26)18-16(3)22-25(19(18)21)14-17-7-5-15(2)6-8-17/h5-8H,4,9-14H2,1-3H3/p+1