[2-[[2-(dimethylamino)quinolin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[[2-(dimethylamino)quinolin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-(dimethylamino)quinolin-1-ium-4-yl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[[2-(dimethylamino)-4-quinolin-1-iumyl]amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-(dimethylamino)quinolin-1-ium-4-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[[2-(dimethylamino)quinolin-1-ium-4-yl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=[NH+]C3=CC=CC=C32)N(C)C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=[NH+]C3=CC=CC=C32)N(C)C

InChI

InChI=1S/C21H24N4O/c1-24(2)20-13-19(17-11-7-8-12-18(17)22-20)23-21(26)15-25(3)14-16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3,(H,22,23,26)/p+2