(2R)-2-piperazin-4-ium-1-yl-2-(3-propan-2-yloxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(3-propan-2-yloxyphenyl)ethanenitrile Openeye Name: (2R)-2-(3-isopropoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(3-propan-2-yloxyphenyl)acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(3-propan-2-yloxyphenyl)acetonitrile Traditional Name: (2R)-2-(3-isopropoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O/c1-12(2)19-14-5-3-4-13(10-14)15(11-16)18-8-6-17-7-9-18/h3-5,10,12,15,17H,6-9H2,1-2H3/p+1/t15-/m0/s1