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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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