4-methyl-1-oxidanidyl-2-(1-phenylpentylsulfonyl)pyridin-1-ium

Systemtic Name: 4-methyl-1-oxidanidyl-2-(1-phenylpentylsulfonyl)pyridin-1-ium Openeye Name: 4-methyl-1-oxido-2-(1-phenylpentylsulfonyl)pyridin-1-ium CAS Name: 4-methyl-1-oxido-2-(1-phenylpentylsulfonyl)pyridin-1-ium IUPAC Name: 4-methyl-1-oxido-2-(1-phenylpentylsulfonyl)pyridin-1-ium Traditional Name: 4-methyl-1-oxido-2-(1-phenylpentylsulfonyl)pyridin-1-ium Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)S(=O)(=O)C2=[N+](C=CC(=C2)C)[O-]

Isomeric SMILES

CCCCC(C1=CC=CC=C1)S(=O)(=O)C2=[N+](C=CC(=C2)C)[O-]

InChI

InChI=1S/C17H21NO3S/c1-3-4-10-16(15-8-6-5-7-9-15)22(20,21)17-13-14(2)11-12-18(17)19/h5-9,11-13,16H,3-4,10H2,1-2H3