[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[1-(2-thenyl)piperidin-1-ium-4-yl]methanone Formula: C23H31N3O3S+2 MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

InChI

InChI=1S/C23H29N3O3S/c27-23(19-5-7-24(8-6-19)16-20-2-1-13-30-20)26-11-9-25(10-12-26)15-18-3-4-21-22(14-18)29-17-28-21/h1-4,13-14,19H,5-12,15-17H2/p+2