dimethyl-[2-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[2-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: [2-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylamino]-2-keto-ethyl]-dimethyl-ammonium Formula: C18H26N4O+2 MolecularWeight: 314.42524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCC1=C([NH+]=CC=C1)N(C)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CC(=O)NCC1=C([NH+]=CC=C1)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O/c1-21(2)14-17(23)20-12-16-10-7-11-19-18(16)22(3)13-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H,20,23)/p+2