N-(2-methyl-4-nitro-phenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H21N5O3S/c1-13-12-14(22(24)25)2-3-15(13)19-16(23)4-6-20-7-9-21(10-8-20)17-18-5-11-26-17/h2-3,5,11-12H,4,6-10H2,1H3,(H,19,23)/p+1