2-[1-(2,5-dimethylphenyl)butylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)butylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)butylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)butylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)butylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)butylthio]-1-oxido-pyridin-1-ium Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)C)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)C)C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H21NOS/c1-4-7-16(15-12-13(2)9-10-14(15)3)20-17-8-5-6-11-18(17)19/h5-6,8-12,16H,4,7H2,1-3H3