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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylpropyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-(3-phenylpropyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-(3-phenylpropyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-(3-phenylpropyl)ammonium Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO2/c1-15-10-11-19-18(13-20(23)24-21(19)16(15)2)14-22-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,22H,6,9,12,14H2,1-2H3/p+1