(2S)-2-(3-chloranylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(3-chlorophenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(3-chlorophenoxy)-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(3-chlorophenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propionamide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H25ClN2O2/c1-12(2)20-9-7-15(8-10-20)19-17(21)13(3)22-16-6-4-5-14(18)11-16/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1