1-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C18H17N2O3+ MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[N+]3=CC=CC(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[N+]3=CC=CC(=C3)C(=O)N)C

InChI

InChI=1S/C18H16N2O3/c1-11-6-15-14(8-17(21)23-16(15)7-12(11)2)10-20-5-3-4-13(9-20)18(19)22/h3-9H,10H2,1-2H3,(H-,19,22)/p+1