2-butyl-1,3-dimethyl-6-methylsulfanyl-cyclohepta[c]pyrrol-2-ium

Systemtic Name: 2-butyl-1,3-dimethyl-6-methylsulfanyl-cyclohepta[c]pyrrol-2-ium Openeye Name: 2-butyl-1,3-dimethyl-6-methylsulfanyl-cyclohepta[c]pyrrol-2-ium CAS Name: 2-butyl-1,3-dimethyl-6-(methylthio)cyclohepta[c]pyrrol-2-ium IUPAC Name: 2-butyl-1,3-dimethyl-6-methylsulfanylcyclohepta[c]pyrrol-2-ium Traditional Name: 2-butyl-1,3-dimethyl-6-(methylthio)cyclohepta[c]pyrrol-2-ium Formula: C16H22NS+ MolecularWeight: 260.41758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)SC)C

Isomeric SMILES

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)SC)C

InChI

InChI=1S/C16H22NS/c1-5-6-11-17-12(2)15-9-7-14(18-4)8-10-16(15)13(17)3/h7-10H,5-6,11H2,1-4H3/q+1