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

Systemtic Name: N-[4-[[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H25ClN2O2/c1-15-12-19(23)7-10-21(15)22(27)18-4-3-11-25(14-18)13-17-5-8-20(9-6-17)24-16(2)26/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,24,26)/p+1/t18-/m0/s1