N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H24N5O3S+ MolecularWeight: 426.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-2-15-3-5-16(6-4-15)22-20(27)14-24-9-11-25(12-10-24)21-23-18-8-7-17(26(28)29)13-19(18)30-21/h3-8,13H,2,9-12,14H2,1H3,(H,22,27)/p+1