1-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C23H33N3O3/c1-17(22(28)24-14-11-18-7-3-2-4-8-18)26-15-12-19(13-16-26)23(29)25-20-9-5-6-10-21(20)27/h5-7,9-10,17,19,27H,2-4,8,11-16H2,1H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1