4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxychromen-2-one Traditional Name: 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-coumarin Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-26-18-6-7-20-19(13-18)15(12-21(25)27-20)14-23-8-10-24(11-9-23)17-4-2-16(22)3-5-17/h2-7,12-13H,8-11,14H2,1H3/p+1