(E)-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(2-pyridylsulfonyl)acrylonitrile Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC=C(C#N)S(=O)(=O)C2=CC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c21-14-19(27(25,26)20-8-4-5-11-22-20)15-23-18-9-12-24(13-10-18)16-17-6-2-1-3-7-17/h1-8,11,15,18,23H,9-10,12-13,16H2/p+1/b19-15+