(4-methyl-3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl)methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methyl-3-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl)methyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3-hydroxy-4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl)methyl-(4-pyridylmethyl)ammonium CAS Name: (3-hydroxy-4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-hydroxy-4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl)methyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3-hydroxy-6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-2-yl)methyl-(4-pyridylmethyl)ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH2+]CC3=CC=NC=C3)C4=C(CCCC4)C(=O)O2

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH2+]CC3=CC=NC=C3)C4=C(CCCC4)C(=O)O2

InChI

InChI=1S/C21H22N2O3/c1-13-19(24)15(12-23-11-14-6-8-22-9-7-14)10-18-16-4-2-3-5-17(16)21(25)26-20(13)18/h6-10,23-24H,2-5,11-12H2,1H3/p+1