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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)Cl)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)Cl)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C23H25ClN2O3/c1-4-9-26(14-22(27)25-20-8-6-5-7-15(20)2)13-17-11-23(28)29-21-10-16(3)19(24)12-18(17)21/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,25,27)/p+1