7-methoxy-4-methyl-6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one

Systemtic Name: 7-methoxy-4-methyl-6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 7-methoxy-4-methyl-6-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 6-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N2O4/c1-18-14-25(29)31-23-16-22(30-2)20(15-21(18)23)8-9-24(28)27-12-10-26(11-13-27)17-19-6-4-3-5-7-19/h3-7,14-16H,8-13,17H2,1-2H3/p+1