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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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