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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H26N4O4+2 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O4/c26-20(23-21(27)22-17-6-7-18-19(12-17)29-15-28-18)14-25-10-8-24(9-11-25)13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H2,22,23,26,27)/p+2