[4-[[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H24ClN2OS+ MolecularWeight: 399.95676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-25(2)14-17-11-9-16(10-12-17)13-24-21(26)15-27-20-8-4-6-18-5-3-7-19(23)22(18)20/h3-12H,13-15H2,1-2H3,(H,24,26)/p+1