N-(6-methyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide CAS Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide Formula: C21H27N3O3+2 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H25N3O3/c1-16-11-19-20(27-15-26-19)12-18(16)22-21(25)14-24-9-7-23(8-10-24)13-17-5-3-2-4-6-17/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25)/p+2