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

Systemtic Name: 1-[4-[[(3S)-3-(4-tert-butylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c1-26(2,3)22-10-8-20(9-11-22)24(30)21-5-4-15-28(18-21)17-19-6-12-23(13-7-19)29-16-14-27-25(29)31/h6-13,21H,4-5,14-18H2,1-3H3,(H,27,31)/p+1/t21-/m0/s1