(2R)-3-(4-methoxyphenyl)-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]propanenitrile

Systemtic Name: (2R)-3-(4-methoxyphenyl)-3-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]propanenitrile Openeye Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-3-(4-methoxyphenyl)-3-oxo-propanenitrile CAS Name: (2R)-3-(4-methoxyphenyl)-3-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]propanenitrile IUPAC Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-3-(4-methoxyphenyl)-3-oxopropanenitrile Traditional Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-3-keto-3-(4-methoxyphenyl)propionitrile Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C=NC2CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@H](C=NC2CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H25N3O2/c1-28-22-9-7-19(8-10-22)23(27)20(15-24)16-25-21-11-13-26(14-12-21)17-18-5-3-2-4-6-18/h2-10,16,20-21H,11-14,17H2,1H3/p+1/t20-/m0/s1