N-(3-azanyl-4-chloranyl-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-amino-4-chlorophenyl)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O/c1-11-4-3-5-12(2)20(11)9-8-16(21)19-13-6-7-14(17)15(18)10-13/h6-7,10-12H,3-5,8-9,18H2,1-2H3,(H,19,21)/p+1/t11-,12-/m0/s1