N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-ethylacetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-ethyl-N-piperonyl-acetamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-2-26(16-20-8-9-21-22(14-20)29-18-28-21)23(27)17-25-12-10-24(11-13-25)15-19-6-4-3-5-7-19/h3-9,14H,2,10-13,15-18H2,1H3/p+2