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

Systemtic Name: N-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-14(2)20-18(23)13-21-8-10-22(11-9-21)19(24)17-12-15-6-4-3-5-7-16(15)25-17/h12,14H,3-11,13H2,1-2H3,(H,20,23)/p+1