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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-piperidin-1-ium-4-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-piperidin-1-ium-4-yl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-piperidin-1-iumyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-piperidin-1-ium-4-ylmethanone Traditional Name: piperidin-1-ium-4-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+]CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O3/c22-18(15-3-5-19-6-4-15)21-9-7-20(8-10-21)12-14-1-2-16-17(11-14)24-13-23-16/h1-2,11,15,19H,3-10,12-13H2/p+2