(2S)-N-(4-azanyl-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-amino-2-methylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C15H23N3O/c1-11-10-13(16)6-7-14(11)17-15(19)12(2)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9,16H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1