6-methoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-methoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methoxy-chromen-2-one CAS Name: 6-methoxy-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methoxychromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methoxy-coumarin Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c1-27-18-7-8-20-17(13-18)14-19(22(26)28-20)21(25)24-11-9-23(10-12-24)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3/p+1