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

Systemtic Name: (2S)-2-(2-chloranyl-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)propionamide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2/c1-4-20-9-7-14(8-10-20)19-17(21)13(3)22-16-11-12(2)5-6-15(16)18/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1