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

Systemtic Name: (2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-amino-2-chlorophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-chlorophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O/c1-10(18-7-3-2-4-8-18)14(19)17-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,19)/p+1/t10-/m0/s1