6,8-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6,8-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6,8-dimethyl-chromen-4-one CAS Name: 6,8-dimethyl-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6,8-dimethylchromen-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-6,8-dimethyl-chromone Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N2O3/c1-16-12-17(2)22-19(13-16)20(26)14-21(28-22)23(27)25-10-8-24(9-11-25)15-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3/p+1