(2S)-N-(3-aminophenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)N)[NH+]2CCCCC2

InChI

InChI=1S/C14H21N3O/c1-11(17-8-3-2-4-9-17)14(18)16-13-7-5-6-12(15)10-13/h5-7,10-11H,2-4,8-9,15H2,1H3,(H,16,18)/p+1/t11-/m0/s1