(2S)-2-naphthalen-1-yl-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2S)-2-naphthalen-1-yl-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-(1-naphthyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-(1-naphthalenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-naphthalen-1-yl-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-(1-naphthyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C17H20N3+ MolecularWeight: 266.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC2=CC=CC=C21)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@](C#N)(C1=CC=CC2=CC=CC=C21)N3CC[NH2+]CC3

InChI

InChI=1S/C17H19N3/c1-17(13-18,20-11-9-19-10-12-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,19H,9-12H2,1H3/p+1/t17-/m1/s1