(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-(2-phenoxyethyl)azanium

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-(2-phenoxyethyl)azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-(2-phenoxyethyl)ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-(2-phenoxyethyl)ammonium IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-(2-phenoxyethyl)azanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-(2-phenoxyethyl)ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCOC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCOC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H25NO3/c1-15(2)19-13-20-17(12-22(24)26-21(20)11-16(19)3)14-23-9-10-25-18-7-5-4-6-8-18/h4-8,11-13,15,23H,9-10,14H2,1-3H3/p+1