1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]cinnolin-4-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C24H26N4O3/c29-22-16-25-28(21-4-2-1-3-20(21)22)9-7-24(30)27-12-10-26(11-13-27)17-18-5-6-23-19(15-18)8-14-31-23/h1-6,15-16H,7-14,17H2/p+1