(3S,6S)-6-methyl-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(4-isopropoxyphenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-(4-propan-2-yloxyphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(4-isopropoxyphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C16H24N2O2/c1-11(2)20-15-8-6-14(7-9-15)18-16(19)13-5-4-12(3)17-10-13/h6-9,11-13,17H,4-5,10H2,1-3H3,(H,18,19)/p+1/t12-,13-/m0/s1