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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[4-(3-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=CSC=C5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)CC5=CSC=C5

InChI

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