2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H22BrN4O2S+ MolecularWeight: 450.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H21BrN4O2S/c1-14-12-15(2)22-19(18(14)13-21)23-8-3-9-24(11-10-23)27(25,26)17-6-4-16(20)5-7-17/h4-7,12H,3,8-11H2,1-2H3/p+1