5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Formula: C25H31ClN5O+ MolecularWeight: 452.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H30ClN5O/c1-19-8-10-21(11-9-19)18-31-24(26)23(20(2)28-31)25(32)27-12-13-29-14-16-30(17-15-29)22-6-4-3-5-7-22/h3-11H,12-18H2,1-2H3,(H,27,32)/p+1