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

Systemtic Name: (2S)-2-(4-tert-butylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(4-tert-butylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(4-tert-butylphenoxy)-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(4-tert-butylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(4-tert-butylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2/c1-6-13-23-14-11-18(12-15-23)22-20(24)16(2)25-19-9-7-17(8-10-19)21(3,4)5/h7-10,16,18H,6,11-15H2,1-5H3,(H,22,24)/p+1/t16-/m0/s1