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

Systemtic Name: 1-[4-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O

InChI

InChI=1S/C25H31N3O3/c1-18(2)31-23-7-3-5-20(15-23)24(29)21-6-4-13-27(17-21)16-19-8-10-22(11-9-19)28-14-12-26-25(28)30/h3,5,7-11,15,18,21H,4,6,12-14,16-17H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1