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

Systemtic Name: (2S)-N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-amino-4,6-dichlorophenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4,6-dichlorophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C13H18Cl2N3O+ MolecularWeight: 303.20752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1N)Cl)Cl)[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1N)Cl)Cl)[NH+]2CCCC2

InChI

InChI=1S/C13H17Cl2N3O/c1-8(18-4-2-3-5-18)13(19)17-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5,16H2,1H3,(H,17,19)/p+1/t8-/m0/s1