(3S,6S)-N-(4-tert-butylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(4-tert-butylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(4-tert-butylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(4-tert-butylphenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(4-tert-butylphenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(4-tert-butylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-12-5-6-13(11-18-12)16(20)19-15-9-7-14(8-10-15)17(2,3)4/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,19,20)/p+1/t12-,13-/m0/s1