(3S)-N-[4-(2-methylpropoxy)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylpropoxy)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-isobutoxyphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylpropoxy)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-isobutoxyphenyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H24N2O2/c1-12(2)11-20-15-7-5-14(6-8-15)18-16(19)13-4-3-9-17-10-13/h5-8,12-13,17H,3-4,9-11H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1