[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-cyclooctylazanium Traditional Name: cyclooctyl-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c26-22(15-23-19-6-4-2-1-3-5-7-19)25-12-10-24(11-13-25)16-18-8-9-20-21(14-18)28-17-27-20/h8-9,14,19,23H,1-7,10-13,15-17H2/p+2