N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C

InChI

InChI=1S/C18H27N3O2S/c1-4-20-7-9-21(10-8-20)18(23)16-14-6-5-12(2)11-15(14)24-17(16)19-13(3)22/h12H,4-11H2,1-3H3,(H,19,22)/p+1