2-azanyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-keto-2-piperidino-ethyl)thio]-4-p-cumenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N3CCCCC3)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N3CCCCC3)N)C#N

InChI

InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)/p+1