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

Systemtic Name: 1-[(2S)-2-azanyl-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-amino-2-mesityl-ethyl]piperidin-1-ium-4-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+]2CCC(CC2)C(=O)N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C[NH+]2CCC(CC2)C(=O)N)N)C

InChI

InChI=1S/C17H27N3O/c1-11-8-12(2)16(13(3)9-11)15(18)10-20-6-4-14(5-7-20)17(19)21/h8-9,14-15H,4-7,10,18H2,1-3H3,(H2,19,21)/p+1/t15-/m1/s1