[4-(phenylmethyl)piperazin-4-ium-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydroisobenzothiophen-1-yl)methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(SC=C2C1)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(SC=C2C1)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N2OS/c23-20(19-18-9-5-4-8-17(18)15-24-19)22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2/p+1