4,8-dimethyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 4,8-dimethyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-4,8-dimethyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4,8-dimethyl-6-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-4,8-dimethyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-benzyl-2-keto-4,8-dimethyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCN(CC3)C)[O-])C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCN(CC3)C)[O-])C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-16-20-14-19(15-26-11-9-25(3)10-12-26)22(27)17(2)23(20)29-24(28)21(16)13-18-7-5-4-6-8-18/h4-8,14,27H,9-13,15H2,1-3H3