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

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(4-amino-2-methylphenyl)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-amino-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-3-[(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+]1CCC(=O)NC2=C(C=C(C=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12-11-14(17)6-7-15(12)18-16(20)8-10-19-9-4-3-5-13(19)2/h6-7,11,13H,3-5,8-10,17H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1