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

Systemtic Name: 1-[4-[[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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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)N4CCNC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O

InChI

InChI=1S/C23H26ClN3O2/c1-16-13-19(24)6-9-21(16)22(28)18-3-2-11-26(15-18)14-17-4-7-20(8-5-17)27-12-10-25-23(27)29/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,29)/p+1/t18-/m0/s1