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

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H26ClN3O+2 MolecularWeight: 311.85014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)C2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)C2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C16H24ClN3O/c1-12-4-5-15(14(17)10-12)18-16(21)11-20(3)13-6-8-19(2)9-7-13/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)/p+2