2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-15(2)23-19(26)13-24-9-11-25(12-10-24)20(27)14-28-18-8-4-6-16-5-3-7-17(22)21(16)18/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1