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

Systemtic Name: 2-[(5S)-2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl]-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-[(5S)-2-amino-4-oxo-thiazol-5-yl]-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-[(5S)-2-amino-4-oxo-5-thiazolyl]-N-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(5S)-2-amino-4-keto-2-thiazolin-5-yl]-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]acetamide Formula: C21H23N6O3S+ MolecularWeight: 439.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)NC(=O)CC4C(=O)N=C(S4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)NC(=O)C[C@H]4C(=O)N=C(S4)N

InChI

InChI=1S/C21H22N6O3S/c22-21-25-19(29)16(31-21)13-18(28)24-15-5-3-4-14(12-15)20(30)27-10-8-26(9-11-27)17-6-1-2-7-23-17/h1-7,12,16H,8-11,13H2,(H,24,28)(H2,22,25,29)/p+1/t16-/m0/s1