(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(4-methoxy-3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C21H21ClNO5+ MolecularWeight: 402.84814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC)Cl

InChI

InChI=1S/C21H20ClNO5/c1-12-6-19-15(9-17(12)22)14(8-20(24)28-19)11-23-10-13-4-5-18(26-2)16(7-13)21(25)27-3/h4-9,23H,10-11H2,1-3H3/p+1