4-methyl-7-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]ethoxy]-4-methyl-coumarin Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C25H28N2O4/c1-18-4-6-20(7-5-18)16-26-10-3-11-27(13-12-26)24(28)17-30-21-8-9-22-19(2)14-25(29)31-23(22)15-21/h4-9,14-15H,3,10-13,16-17H2,1-2H3/p+1