(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)C)C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)C)C

InChI

InChI=1S/C16H21NO3/c1-4-13(9-18)17-8-12-7-16(19)20-15-6-11(3)10(2)5-14(12)15/h5-7,13,17-18H,4,8-9H2,1-3H3/p+1/t13-/m1/s1