(3S)-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-keto-2-mesidino-ethyl)-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O2/c1-16-12-17(2)22(18(3)13-16)25-21(27)15-26-11-7-8-19(14-26)23(28)24-20-9-5-4-6-10-20/h4-6,9-10,12-13,19H,7-8,11,14-15H2,1-3H3,(H,24,28)(H,25,27)/p+1/t19-/m0/s1