(1R,2S)-2-(4-tert-butylphenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-2-(4-tert-butylphenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)cyclopropane-1-carboxamide Openeye Name: (1R,2S)-2-(4-tert-butylphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)cyclopropanecarboxamide CAS Name: (1R,2S)-2-(4-tert-butylphenyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-2-(4-tert-butylphenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)cyclopropane-1-carboxamide Traditional Name: (1R,2S)-2-(4-tert-butylphenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)cyclopropanecarboxamide Formula: C22H35N2O+ MolecularWeight: 343.5261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CC2C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)[C@@H]2C[C@@H]2C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H34N2O/c1-15(2)24-12-10-18(11-13-24)23-21(25)20-14-19(20)16-6-8-17(9-7-16)22(3,4)5/h6-9,15,18-20H,10-14H2,1-5H3,(H,23,25)/p+1/t19-,20-/m1/s1