trimethyl-[(3Z)-3-(3-methyl-1,3-benzoxazol-2-ylidene)-1-phenyl-1-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-yl]azanium

Systemtic Name: trimethyl-[(3Z)-3-(3-methyl-1,3-benzoxazol-2-ylidene)-1-phenyl-1-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-yl]azanium Openeye Name: trimethyl-[1-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-2-phenyl-2-(1-thioxo-4H-quinolin-1-ium-2-yl)ethyl]ammonium CAS Name: trimethyl-[(3Z)-3-(3-methyl-1,3-benzoxazol-2-ylidene)-1-phenyl-1-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-yl]ammonium IUPAC Name: trimethyl-[(3Z)-3-(3-methyl-1,3-benzoxazol-2-ylidene)-1-phenyl-1-(1-sulfanylidene-4H-quinolin-1-ium-2-yl)propan-2-yl]azanium Traditional Name: trimethyl-[1-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-2-phenyl-2-(1-thioxo-4H-quinolin-1-ium-2-yl)ethyl]ammonium Formula: C29H31N3OS+2 MolecularWeight: 469.64094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC1=CC(C(C3=CCC4=CC=CC=C4[N+]3=S)C5=CC=CC=C5)[N+](C)(C)C

Isomeric SMILES

CN\1C2=CC=CC=C2O/C1=C\C(C(C3=CCC4=CC=CC=C4[N+]3=S)C5=CC=CC=C5)[N+](C)(C)C

InChI

InChI=1S/C29H31N3OS/c1-30-24-16-10-11-17-27(24)33-28(30)20-26(32(2,3)4)29(22-13-6-5-7-14-22)25-19-18-21-12-8-9-15-23(21)31(25)34/h5-17,19-20,26,29H,18H2,1-4H3/q+2/b28-20-