[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(5-methyl-1-pyrazolyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(3-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=CSC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

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