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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(C)C(=O)NC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)O[C@@H](C)C(=O)NC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C18H27ClN2O2/c1-12(2)21-9-7-15(8-10-21)20-18(22)14(4)23-17-11-13(3)5-6-16(17)19/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,20,22)/p+1/t14-/m0/s1