[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(5-methyl-1-pyrazolyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS/c1-16-8-9-21-24(16)18-6-4-17(5-7-18)20(25)23-12-10-22(11-13-23)15-19-3-2-14-26-19/h2-9,14H,10-13,15H2,1H3/p+1