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

Systemtic Name: 1-[4-[[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-veratroylpiperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O)OC

InChI

InChI=1S/C24H29N3O4/c1-30-21-10-7-18(14-22(21)31-2)23(28)19-4-3-12-26(16-19)15-17-5-8-20(9-6-17)27-13-11-25-24(27)29/h5-10,14,19H,3-4,11-13,15-16H2,1-2H3,(H,25,29)/p+1/t19-/m0/s1