(2S)-N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-amino-4,6-dichlorophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4,6-dichlorophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C14H20Cl2N3O+ MolecularWeight: 317.2341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1N)Cl)Cl)[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1N)Cl)Cl)[NH+]2CCCCC2

InChI

InChI=1S/C14H19Cl2N3O/c1-9(19-5-3-2-4-6-19)14(20)18-13-11(16)7-10(15)8-12(13)17/h7-9H,2-6,17H2,1H3,(H,18,20)/p+1/t9-/m0/s1