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

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(1,3-dithian-2-yl)phenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N2OS3+ MolecularWeight: 405.6203

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H24N2OS3/c23-19(17-2-4-18(5-3-17)20-25-11-1-12-26-20)22-9-7-21(8-10-22)14-16-6-13-24-15-16/h2-6,13,15,20H,1,7-12,14H2/p+1