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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-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=CC=CS2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

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