1-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

InChI

InChI=1S/C24H29N3O3/c1-16(23(29)25-20-10-9-17-5-4-6-19(17)15-20)27-13-11-18(12-14-27)24(30)26-21-7-2-3-8-22(21)28/h2-3,7-10,15-16,18,28H,4-6,11-14H2,1H3,(H,25,29)(H,26,30)/p+1/t16-/m0/s1