2-(4-chlorophenyl)sulfonyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-propanenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-propanenitrile Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-(4-chlorophenyl)sulfonyl-propanenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]propanenitrile IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-(4-chlorophenyl)sulfonylpropanenitrile Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-2-(4-chlorophenyl)sulfonyl-propionitrile Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=CC(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N=CC(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2S/c22-18-6-8-20(9-7-18)28(26,27)21(14-23)15-24-19-10-12-25(13-11-19)16-17-4-2-1-3-5-17/h1-9,15,19,21H,10-13,16H2/p+1