methyl-[2-[[4-(4-methylphenyl)-1-oxidanylidene-isochromen-3-yl]carbonylamino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[[4-(4-methylphenyl)-1-oxidanylidene-isochromen-3-yl]carbonylamino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[[1-oxo-4-(p-tolyl)isochromene-3-carbonyl]amino]ethyl]ammonium CAS Name: methyl-[2-[[[4-(4-methylphenyl)-1-oxo-2-benzopyran-3-yl]-oxomethyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[[4-(4-methylphenyl)-1-oxoisochromene-3-carbonyl]amino]ethyl]azanium Traditional Name: benzyl-[2-[[1-keto-4-(p-tolyl)isochromene-3-carbonyl]amino]ethyl]-methyl-ammonium Formula: C27H27N2O3+ MolecularWeight: 427.51488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NCC[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-19-12-14-21(15-13-19)24-22-10-6-7-11-23(22)27(31)32-25(24)26(30)28-16-17-29(2)18-20-8-4-3-5-9-20/h3-15H,16-18H2,1-2H3,(H,28,30)/p+1