(3-methyl-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methylbenzothiophen-2-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-1-benzothiophen-2-yl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-1-benzothiophen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methylbenzothiophen-2-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H21N2OS2+ MolecularWeight: 357.51284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C19H20N2OS2/c1-14-16-4-2-3-5-17(16)24-18(14)19(22)21-9-7-20(8-10-21)12-15-6-11-23-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1