1-[(2S)-1-[2-(3-methylphenyl)carbonylhydrazinyl]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[2-(3-methylphenyl)carbonylhydrazinyl]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-[2-(3-methylbenzoyl)hydrazino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[[(3-methylphenyl)-oxomethyl]hydrazo]-1-oxopropan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[2-(3-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(N'-m-toluoylhydrazino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=O)C(C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-16-7-6-8-19(15-16)23(30)26-25-21(28)17(2)27-13-11-18(12-14-27)22(29)24-20-9-4-3-5-10-20/h3-10,15,17-18H,11-14H2,1-2H3,(H,24,29)(H,25,28)(H,26,30)/p+1/t17-/m0/s1