N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C26H26N5O3S+ MolecularWeight: 488.58134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

InChI

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