(2R)-2-naphthalen-2-yl-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-naphthalen-2-yl-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2-naphthyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2-naphthalenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-naphthalen-2-yl-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2-naphthyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H17N3/c17-12-16(19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16,18H,7-10H2/p+1/t16-/m0/s1