7-methyl-5-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methyl-5-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 5-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 5-hydroxy-7-methyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 5-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 5-hydroxy-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=C1)O

InChI

InChI=1S/C21H22N2O3/c1-15-11-18(24)21-16(13-20(25)26-19(21)12-15)14-22-7-9-23(10-8-22)17-5-3-2-4-6-17/h2-6,11-13,24H,7-10,14H2,1H3/p+1