1-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(2-pyridylmethyl)-1,4-diazepan-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(2-pyridinylmethyl)-1,4-diazepan-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium Traditional Name: 1-(2-pyridylmethyl)-4-tosyl-1,4-diazepan-1-ium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N3O2S/c1-16-6-8-18(9-7-16)24(22,23)21-12-4-11-20(13-14-21)15-17-5-2-3-10-19-17/h2-3,5-10H,4,11-15H2,1H3/p+1