2-[4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(1,3-dithian-2-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H30N3O2S2+ MolecularWeight: 408.6011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H29N3O2S2/c1-15(2)21-18(24)14-22-8-10-23(11-9-22)19(25)16-4-6-17(7-5-16)20-26-12-3-13-27-20/h4-7,15,20H,3,8-14H2,1-2H3,(H,21,24)/p+1