(3R)-1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C18H23N2O3+ MolecularWeight: 315.38682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C(=O)N)C

InChI

InChI=1S/C18H22N2O3/c1-11-5-6-15-14(8-16(21)23-17(15)12(11)2)10-20-7-3-4-13(9-20)18(19)22/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,19,22)/p+1/t13-/m1/s1