2-azanyl-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-(1-piperidyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-(1-piperidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-(p-tolyl)ethyl]-6-piperidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H23N6+ MolecularWeight: 371.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

InChI

InChI=1S/C22H22N6/c1-15-5-7-16(8-6-15)11-17(12-23)20-18(13-24)21(26)27-22(19(20)14-25)28-9-3-2-4-10-28/h5-8,17H,2-4,9-11H2,1H3,(H2,26,27)/p+1/t17-/m1/s1