6,8-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6,8-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6,8-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6,8-dimethyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,8-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6,8-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N2O2/c1-16-12-17(2)22-20(13-16)18(14-21(25)26-22)15-23-8-10-24(11-9-23)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3/p+1