(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (1-allyl-6-methyl-2-oxo-3-quinolyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (6-methyl-2-oxo-1-prop-2-enyl-3-quinolinyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (6-methyl-2-oxo-1-prop-2-enylquinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (1-allyl-2-keto-6-methyl-3-quinolyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H31N3O2+2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCC[NH+]3CCOCC3)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCC[NH+]3CCOCC3)CC=C

InChI

InChI=1S/C21H29N3O2/c1-3-8-24-20-6-5-17(2)14-18(20)15-19(21(24)25)16-22-7-4-9-23-10-12-26-13-11-23/h3,5-6,14-15,22H,1,4,7-13,16H2,2H3/p+2