(4-cyclohexylpiperazin-4-ium-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C20H27N3O2S/c1-2-25-16-8-9-17-18(14-16)26-19(21-17)20(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h8-9,14-15H,2-7,10-13H2,1H3/p+1