6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-(2-methylallyloxy)-3-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C27H31ClN3O4+ MolecularWeight: 497.00574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C27H30ClN3O4/c1-18(2)17-34-25-16-24-21(14-23(25)28)19(3)22(27(33)35-24)15-26(32)31-12-10-30(11-13-31)9-6-20-4-7-29-8-5-20/h4-5,7-8,14,16H,1,6,9-13,15,17H2,2-3H3/p+1