(2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-amino-2-chlorophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-amino-2-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propionamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C)C(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C15H22ClN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-14-7-6-12(17)9-13(14)16/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20)/p+1/t10-,11-/m0/s1