2-[4-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H36N3O2S+ MolecularWeight: 418.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N3O2S/c1-23(2,3)18-6-7-19-17(14-18)15-20(29-19)22(28)26-12-10-24(11-13-26)16-21(27)25-8-4-5-9-25/h15,18H,4-14,16H2,1-3H3/p+1/t18-/m0/s1