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

Systemtic Name: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H21Cl2N4O2S+ MolecularWeight: 440.36664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4O2S/c1-13-10-14(2)23-19(16(13)12-22)24-6-3-7-25(9-8-24)28(26,27)18-5-4-15(20)11-17(18)21/h4-5,10-11H,3,6-9H2,1-2H3/p+1