(4-ethylpiperazin-4-ium-1-yl)-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]methanone Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C17H26N2OS/c1-3-13-5-6-15-14(11-13)12-16(21-15)17(20)19-9-7-18(4-2)8-10-19/h12-13H,3-11H2,1-2H3/p+1/t13-/m0/s1