(3R)-1-[(2S)-2-azanyl-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-azanyl-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-amino-2-mesityl-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C[NH+]2CCCC(C2)C(=O)N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C[NH+]2CCC[C@H](C2)C(=O)N)N)C

InChI

InChI=1S/C17H27N3O/c1-11-7-12(2)16(13(3)8-11)15(18)10-20-6-4-5-14(9-20)17(19)21/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H2,19,21)/p+1/t14-,15-/m1/s1