[1-(2-chloranylprop-2-enyl)-7-methyl-2-oxidanylidene-quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [1-(2-chloranylprop-2-enyl)-7-methyl-2-oxidanylidene-quinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [1-(2-chloroallyl)-7-methyl-2-oxo-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [1-(2-chloroprop-2-enyl)-7-methyl-2-oxo-3-quinolinyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [1-(2-chloroprop-2-enyl)-7-methyl-2-oxoquinolin-3-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [1-(2-chloroallyl)-2-keto-7-methyl-3-quinolyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H30ClN3O2+2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=C)Cl)C[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=C)Cl)C[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28ClN3O2/c1-16-4-5-18-13-19(21(26)25(15-17(2)22)20(18)12-16)14-23-6-3-7-24-8-10-27-11-9-24/h4-5,12-13,23H,2-3,6-11,14-15H2,1H3/p+2