(1R,2S)-2-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-2-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopropane-1-carboxamide Openeye Name: (1R,2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-cyclopropanecarboxamide CAS Name: (1R,2S)-2-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methylcyclopropane-1-carboxamide Traditional Name: (1R,2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-methyl-cyclopropanecarboxamide Formula: C17H25N2O+ MolecularWeight: 273.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@H]1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N2O/c1-13-11-16(13)17(20)18-15-7-9-19(10-8-15)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,18,20)/p+1/t13-,16+/m0/s1