(2S)-2-(4-bromanylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C17H26BrN2O2+ MolecularWeight: 370.30454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2/c1-3-10-20-11-8-15(9-12-20)19-17(21)13(2)22-16-6-4-14(18)5-7-16/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1