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

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O

InChI

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