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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2/c1-16-11-21-19(13-20(16)23)18(12-22(26)27-21)15-25-9-7-24(8-10-25)14-17-5-3-2-4-6-17/h2-6,11-13H,7-10,14-15H2,1H3/p+1