N-(3-chloranyl-2-methyl-phenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H23ClN2O/c1-12-5-4-9-19(11-12)10-8-16(20)18-15-7-3-6-14(17)13(15)2/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1