[(2S)-3-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]propyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(C[NH2+]C(C)C)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH2+]C(C)C)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO4/c1-15(2)24-13-18(25)14-27-19-9-10-20-16(3)21(23(26)28-22(20)12-19)11-17-7-5-4-6-8-17/h4-10,12,15,18,24-25H,11,13-14H2,1-3H3/p+1/t18-/m0/s1