(2S,4S,5R)-1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-carbonitrile

Systemtic Name: (2S,4S,5R)-1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-carbonitrile Openeye Name: (2S,4S,5R)-4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-carbonitrile CAS Name: (2S,4S,5R)-1,2,5-trimethyl-4-(phenylmethyl)-4-piperidin-1-iumcarbonitrile IUPAC Name: (2S,4S,5R)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-carbonitrile Traditional Name: (2S,4S,5R)-4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-carbonitrile Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H]1C[C@]([C@H](C[NH+]1C)C)(CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H22N2/c1-13-11-18(3)14(2)9-16(13,12-17)10-15-7-5-4-6-8-15/h4-8,13-14H,9-11H2,1-3H3/p+1/t13-,14-,16-/m0/s1