7-methyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-5-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-5-olate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxo-chromen-5-olate CAS Name: 7-methyl-2-oxo-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-5-olate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxochromen-5-olate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-keto-7-methyl-chromen-5-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H24N2O3/c1-16-11-19(25)22-18(13-21(26)27-20(22)12-16)15-24-9-7-23(8-10-24)14-17-5-3-2-4-6-17/h2-6,11-13,25H,7-10,14-15H2,1H3