(2S)-2-phenyl-2-piperazin-4-ium-1-yl-butanenitrile

Systemtic Name: (2S)-2-phenyl-2-piperazin-4-ium-1-yl-butanenitrile Openeye Name: (2S)-2-phenyl-2-piperazin-4-ium-1-yl-butanenitrile CAS Name: (2S)-2-phenyl-2-(1-piperazin-4-iumyl)butanenitrile IUPAC Name: (2S)-2-phenyl-2-piperazin-4-ium-1-ylbutanenitrile Traditional Name: (2S)-2-phenyl-2-piperazin-4-ium-1-yl-butyronitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3/c1-2-14(12-15,13-6-4-3-5-7-13)17-10-8-16-9-11-17/h3-7,16H,2,8-11H2,1H3/p+1/t14-/m1/s1