(2S)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-phenyl-butanamide CAS Name: (2S)-2-phenyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-2-phenyl-butyramide Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C18H28N2O/c1-4-17(15-8-6-5-7-9-15)18(21)19-16-10-12-20(13-11-16)14(2)3/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,19,21)/p+1/t17-/m0/s1