(4-phenethylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: (4-phenethylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: (4-phenethyl-1-piperazin-4-iumyl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: (4-phenethylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N2OS/c24-21(19-16-25-20-9-5-4-8-18(19)20)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2/p+1