[1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(phenylmethyl)-4-pyrazolyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c25-20(19-12-21-24(15-19)14-17-4-2-1-3-5-17)23-9-7-22(8-10-23)13-18-6-11-26-16-18/h1-6,11-12,15-16H,7-10,13-14H2/p+1