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

Systemtic Name: 1-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide Openeye Name: 1-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide CAS Name: 1-methyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide Traditional Name: 1-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]pyrazole-4-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CN(N=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C18H25N5O/c1-15-4-3-5-17(12-15)23-10-8-22(9-11-23)7-6-19-18(24)16-13-20-21(2)14-16/h3-5,12-14H,6-11H2,1-2H3,(H,19,24)/p+1