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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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