(2S)-N-(3-azanyl-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-azanyl-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-amino-2-methylphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-amino-2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)NC2=CC=CC(=C2C)N

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-11-7-4-5-10-19(11)13(3)16(20)18-15-9-6-8-14(17)12(15)2/h6,8-9,11,13H,4-5,7,10,17H2,1-3H3,(H,18,20)/p+1/t11-,13-/m0/s1