6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridin-1-ium-3-carbonitrile Formula: C15H17N4O2S2+ MolecularWeight: 349.45108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C15H16N4O2S2/c16-11-13-4-5-14(17-12-13)18-6-2-7-19(9-8-18)23(20,21)15-3-1-10-22-15/h1,3-5,10,12H,2,6-9H2/p+1