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

Systemtic Name: 5-chloranyl-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[2-[4-(m-tolyl)piperazin-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(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

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