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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H27N3O4+2 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c25-21(22-17-6-7-19-20(14-17)28-16-27-19)15-24-10-8-23(9-11-24)12-13-26-18-4-2-1-3-5-18/h1-7,14H,8-13,15-16H2,(H,22,25)/p+2