(2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C23H27N3O2S/c27-23(26-12-10-25(11-13-26)16-19-7-4-14-29-19)18-8-9-20-21(15-18)28-22(24-20)17-5-2-1-3-6-17/h4,7-9,14-15,17H,1-3,5-6,10-13,16H2/p+1