(2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC(=C(C=C1)O)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@](C#N)(C1=CC(=C(C=C1)O)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3O2/c1-14(10-15,17-7-5-16-6-8-17)11-3-4-12(18)13(9-11)19-2/h3-4,9,16,18H,5-8H2,1-2H3/p+1/t14-/m0/s1