1-(3-methylbut-2-enyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-(3-methylbut-2-enyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-(3-methylbut-2-enyl)-4-(p-tolylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-(3-methylbut-2-enyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-(3-methylbut-2-enyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(3-methylbut-2-enyl)-4-tosyl-1,4-diazepan-1-ium Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-15(2)9-12-18-10-4-11-19(14-13-18)22(20,21)17-7-5-16(3)6-8-17/h5-9H,4,10-14H2,1-3H3/p+1