(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylpropyl)azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylpropyl)azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-(3-phenylpropyl)ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-(3-phenylpropyl)azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-(3-phenylpropyl)ammonium Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCC3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3/c1-14-18(22)10-9-17-16(12-19(23)24-20(14)17)13-21-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,21-22H,5,8,11,13H2,1H3/p+1