2-(2-chloranyl-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)-2-methyl-propanamide

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)-2-methyl-propanamide Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)-2-methyl-propanamide CAS Name: 2-(2-chloro-5-methylphenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)-2-methylpropanamide IUPAC Name: 2-(2-chloro-5-methylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)-2-methylpropanamide Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)-2-methyl-propionamide Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C(C)(C)OC2=C(C=CC(=C2)C)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C(C)(C)OC2=C(C=CC(=C2)C)Cl

InChI

InChI=1S/C18H27ClN2O2/c1-5-21-10-8-14(9-11-21)20-17(22)18(3,4)23-16-12-13(2)6-7-15(16)19/h6-7,12,14H,5,8-11H2,1-4H3,(H,20,22)/p+1