N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C18H25ClN3O+ MolecularWeight: 334.8636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O/c1-14-5-3-9-21(12-14)13-18(23)22(10-4-8-20)16-6-7-17(19)15(2)11-16/h6-7,11,14H,3-5,9-10,12-13H2,1-2H3/p+1/t14-/m0/s1