(4-methylsulfanylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylthio)phenyl]-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N2OS/c1-27-21-11-9-19(10-12-21)23(26)25-15-13-24(14-16-25)17-20-7-4-6-18-5-2-3-8-22(18)20/h2-12H,13-17H2,1H3/p+1