[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-[4-(dimethylamino)anilino]-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H28N4O/c1-19(2)15-7-5-14(6-8-15)18-17(22)13-21(4)16-9-11-20(3)12-10-16/h5-8,16H,9-13H2,1-4H3,(H,18,22)/p+2