(2S)-N-(3-azanyl-2-methyl-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-azanyl-2-methyl-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-amino-2-methylphenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-amino-2-methylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=CC(=C2C)N)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)[C@@H](C)C(=O)NC2=CC=CC(=C2C)N)C

InChI

InChI=1S/C17H27N3O/c1-11-8-12(2)10-20(9-11)14(4)17(21)19-16-7-5-6-15(18)13(16)3/h5-7,11-12,14H,8-10,18H2,1-4H3,(H,19,21)/p+1/t11-,12+,14-/m0/s1