N-tert-butyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C20H31N3O2S/c1-20(2,3)21-18(24)14-22-9-11-23(12-10-22)19(25)17-13-15-7-5-4-6-8-16(15)26-17/h13H,4-12,14H2,1-3H3,(H,21,24)/p+1