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

Systemtic Name: 1-[4-[[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-8-12-27-20(15)19(25)17-3-2-10-23(14-17)13-16-4-6-18(7-5-16)24-11-9-22-21(24)26/h4-8,12,17H,2-3,9-11,13-14H2,1H3,(H,22,26)/p+1/t17-/m0/s1