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

Systemtic Name: 2-azanyl-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-piperidin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-(1-piperidyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-(1-piperidinyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-[(1S)-1-cyano-2-(3-methoxyphenyl)ethyl]-6-piperidino-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H23N6O+ MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H](C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N

InChI

InChI=1S/C22H22N6O/c1-29-17-7-5-6-15(11-17)10-16(12-23)20-18(13-24)21(26)27-22(19(20)14-25)28-8-3-2-4-9-28/h5-7,11,16H,2-4,8-10H2,1H3,(H2,26,27)/p+1/t16-/m1/s1