[7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-chloro-1-(2-methoxy-2-oxo-ethyl)-2-oxo-3-quinolyl]methyl]ammonium CAS Name: [7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxo-3-quinolinyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-chloro-2-keto-1-(2-keto-2-methoxy-ethyl)-3-quinolyl]methyl]ammonium Formula: C25H30ClN3O3+2 MolecularWeight: 455.977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O3/c1-32-24(30)17-29-23-14-21(26)8-7-19(23)13-20(25(29)31)15-27-22-9-11-28(12-10-22)16-18-5-3-2-4-6-18/h2-8,13-14,22,27H,9-12,15-17H2,1H3/p+2