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

Systemtic Name: (3R)-1-[(2S)-2-azanyl-2-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-amino-2-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-2-amino-2-(3,4-dimethylphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-2-amino-2-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-amino-2-(3,4-dimethylphenyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-11-5-6-13(8-12(11)2)15(17)10-19-7-3-4-14(9-19)16(18)20/h5-6,8,14-15H,3-4,7,9-10,17H2,1-2H3,(H2,18,20)/p+1/t14-,15-/m1/s1