2-[(5S)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide

Systemtic Name: 2-[(5S)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-[(5S)-4-oxo-2-pyrrolidin-1-yl-thiazol-5-yl]-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: N-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-[(5S)-4-oxo-2-(1-pyrrolidinyl)-5-thiazolyl]acetamide IUPAC Name: 2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(5S)-4-keto-2-pyrrolidino-2-thiazolin-5-yl]-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Formula: C25H29N6O3S+ MolecularWeight: 493.60116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCN(C1)C2=NC(=O)[C@@H](S2)CC(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H28N6O3S/c32-22(17-20-23(33)28-25(35-20)31-11-3-4-12-31)27-19-8-6-18(7-9-19)24(34)30-15-13-29(14-16-30)21-5-1-2-10-26-21/h1-2,5-10,20H,3-4,11-17H2,(H,27,32)/p+1/t20-/m0/s1