(2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-yloxyphenyl)propanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-yloxyphenyl)propanenitrile Openeye Name: (2R)-2-(4-isopropoxyphenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(4-propan-2-yloxyphenyl)propanenitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-yloxyphenyl)propanenitrile Traditional Name: (2R)-2-(4-isopropoxyphenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@](C)(C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O/c1-13(2)20-15-6-4-14(5-7-15)16(3,12-17)19-10-8-18-9-11-19/h4-7,13,18H,8-11H2,1-3H3/p+1/t16-/m0/s1