(2S)-N-(4-azanyl-2-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-amino-2-methylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-amino-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=C(C=C2)N)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=C(C=C2)N)C

InChI

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