6-chloranyl-5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethyl-chromen-2-one CAS Name: 6-chloro-5,7-dimethyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-5,7-dimethyl-coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN2O2/c1-16-12-20-22(17(2)23(16)24)19(13-21(27)28-20)15-26-10-8-25(9-11-26)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1