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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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