3-[4-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-6-methoxy-quinolin-1-ium-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-6-methoxy-quinolin-1-ium-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-[(E)-2-(N-acetylanilino)vinyl]-6-methoxy-quinolin-1-ium-1-yl]propyl-trimethyl-ammonium CAS Name: 3-[4-[(E)-2-(N-acetylanilino)ethenyl]-6-methoxy-1-quinolin-1-iumyl]propyl-trimethylammonium IUPAC Name: 3-[4-[(E)-2-(N-acetylanilino)ethenyl]-6-methoxyquinolin-1-ium-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-[(E)-2-(N-acetylanilino)vinyl]-6-methoxy-quinolin-1-ium-1-yl]propyl-trimethyl-ammonium Formula: C26H33N3O2+2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=C2C=C(C=CC2=[N+](C=C1)CCC[N+](C)(C)C)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(/C=C/C1=C2C=C(C=CC2=[N+](C=C1)CCC[N+](C)(C)C)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2/c1-21(30)28(23-10-7-6-8-11-23)18-15-22-14-17-27(16-9-19-29(2,3)4)26-13-12-24(31-5)20-25(22)26/h6-8,10-15,17-18,20H,9,16,19H2,1-5H3/q+2