(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C21H21ClN2O3/c1-13-4-6-16(7-5-13)23-20(25)12-24(3)11-15-9-21(26)27-19-8-14(2)18(22)10-17(15)19/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1