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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

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