8-[[2-[1-ethanoyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethylamino]methyl]-3-methyl-2-phenyl-chromen-4-one hydrochloride

Systemtic Name: 8-[[2-[1-ethanoyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethylamino]methyl]-3-methyl-2-phenyl-chromen-4-one hydrochloride Openeye Name: 8-[[2-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethylamino]methyl]-3-methyl-2-phenyl-chromen-4-one hydrochloride CAS Name: 8-[[2-[1-acetyl-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethylamino]methyl]-3-methyl-2-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 8-[[2-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethylamino]methyl]-3-methyl-2-phenylchromen-4-one hydrochloride Traditional Name: 8-[[2-[1-acetyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethylamino]methyl]-3-methyl-2-phenyl-chromone hydrochloride Formula: C32H37ClN3O4+ MolecularWeight: 563.10688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CNCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)C)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CNCC[N+]3(CCN(CC3)C4=CC=CC=C4OC)C(=O)C)C5=CC=CC=C5.Cl

InChI

InChI=1S/C32H36N3O4.ClH/c1-23-30(37)27-13-9-12-26(32(27)39-31(23)25-10-5-4-6-11-25)22-33-16-19-35(24(2)36)20-17-34(18-21-35)28-14-7-8-15-29(28)38-3;/h4-15,33H,16-22H2,1-3H3;1H/q+1;