1-[(2S)-3-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C26H31N2O5+ MolecularWeight: 451.53474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCC(CC3)C(=O)N)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)N)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5/c1-17-22-8-7-21(32-16-20(29)15-28-11-9-19(10-12-28)25(27)30)14-24(22)33-26(31)23(17)13-18-5-3-2-4-6-18/h2-8,14,19-20,29H,9-13,15-16H2,1H3,(H2,27,30)/p+1/t20-/m0/s1