[(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] benzoate

Systemtic Name: [(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] benzoate Openeye Name: [(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] benzoate CAS Name: benzoic acid [(Z)-[(2S,5S)-1,2,5-trimethyl-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] benzoate Traditional Name: benzoic acid [(Z)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] ester Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOC(=O)C2=CC=CC=C2)C(C[NH+]1C)C

Isomeric SMILES

C[C@H]1C/C(=N/OC(=O)C2=CC=CC=C2)/[C@H](C[NH+]1C)C

InChI

InChI=1S/C15H20N2O2/c1-11-10-17(3)12(2)9-14(11)16-19-15(18)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3/p+1/b16-14-/t11-,12-/m0/s1