(3R)-1-[(2S)-2-azanyl-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-azanyl-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-amino-2-(4-isopropylphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-amino-2-p-cumenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-12(2)13-5-7-14(8-6-13)16(18)11-20-9-3-4-15(10-20)17(19)21/h5-8,12,15-16H,3-4,9-11,18H2,1-2H3,(H2,19,21)/p+1/t15-,16-/m1/s1