6-chloranyl-8-[(2-methoxyethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(2-methoxyethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-8-[(2-methoxyethylammonio)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[(2-methoxyethylammonio)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-8-[(2-methoxyethylazaniumyl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-6-chloro-2-keto-8-[(2-methoxyethylammonio)methyl]-4-methyl-chromen-7-olate Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCOC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCOC)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO4/c1-13-15-11-18(22)19(24)17(12-23-8-9-26-2)20(15)27-21(25)16(13)10-14-6-4-3-5-7-14/h3-7,11,23-24H,8-10,12H2,1-2H3