3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)quinolin-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)quinolin-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)-1-quinolyl]propyl-trimethyl-ammonium CAS Name: 3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)-1-quinolinyl]propyl-trimethylammonium IUPAC Name: 3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)quinolin-1-yl]propyl-trimethylazanium Traditional Name: 3-[(4E)-4-(3,3-dimethyl-1,3-benzoxazol-3-ium-2-ylidene)-1-quinolyl]propyl-trimethyl-ammonium Formula: C24H31N3O+2 MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2OC1=C3C=CN(C4=CC=CC=C34)CCC[N+](C)(C)C)C

Isomeric SMILES

C[N+]\1(C2=CC=CC=C2O/C1=C/3\C=CN(C4=CC=CC=C34)CCC[N+](C)(C)C)C

InChI

InChI=1S/C24H31N3O/c1-26(2,3)18-10-16-25-17-15-20(19-11-6-7-12-21(19)25)24-27(4,5)22-13-8-9-14-23(22)28-24/h6-9,11-15,17H,10,16,18H2,1-5H3/q+2/b24-20+