N-(2-methoxyethyl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-[2-(2-naphthylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[2-(2-naphthalenylthio)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-[2-(2-naphthylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H27N3O3S/c1-27-13-8-22-20(25)15-23-9-11-24(12-10-23)21(26)16-28-19-7-6-17-4-2-3-5-18(17)14-19/h2-7,14H,8-13,15-16H2,1H3,(H,22,25)/p+1