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

Systemtic Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3S/c1-13(2)20-19(25)15-4-5-17(18(10-15)24(26)27)23-8-6-22(7-9-23)11-16-12-28-14(3)21-16/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,20,25)/p+1