5-(4-methylphenyl)sulfonyl-1-oxidanidyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium

Systemtic Name: 5-(4-methylphenyl)sulfonyl-1-oxidanidyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium Openeye Name: 1-oxido-5-(p-tolylsulfonyl)-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium CAS Name: 5-(4-methylphenyl)sulfonyl-1-oxido-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium IUPAC Name: 5-(4-methylphenyl)sulfonyl-1-oxido-6,7,8,9-tetrahydropyrido[3,2-b]azepin-1-ium Traditional Name: 1-oxido-5-tosyl-6,7,8,9-tetrahydropyrid[3,2-b]azepin-1-ium Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC3=C2C=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC3=C2C=CC=[N+]3[O-]

InChI

InChI=1S/C16H18N2O3S/c1-13-7-9-14(10-8-13)22(20,21)18-12-3-2-5-15-16(18)6-4-11-17(15)19/h4,6-11H,2-3,5,12H2,1H3