[4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H23N2OS3+ MolecularWeight: 391.59372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C19H22N2OS3/c22-18(16-1-3-17(4-2-16)19-24-11-12-25-19)21-8-6-20(7-9-21)13-15-5-10-23-14-15/h1-5,10,14,19H,6-9,11-13H2/p+1