N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C23H29N3O3S/c27-22(17-26-12-10-25(11-13-26)16-19-5-4-14-30-19)24-18-6-7-20-21(15-18)29-23(28-20)8-2-1-3-9-23/h4-7,14-15H,1-3,8-13,16-17H2,(H,24,27)/p+1