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

Systemtic Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide Formula: C26H26N5O3S+ MolecularWeight: 488.58134

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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)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3S/c1-18-27-23(17-35-18)16-29-10-12-30(13-11-29)24-9-7-21(15-25(24)31(33)34)26(32)28-22-8-6-19-4-2-3-5-20(19)14-22/h2-9,14-15,17H,10-13,16H2,1H3,(H,28,32)/p+1