N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4/c26-22(23-15-18-6-7-20-21(14-18)29-17-28-20)16-25-10-8-24(9-11-25)12-13-27-19-4-2-1-3-5-19/h1-7,14H,8-13,15-17H2,(H,23,26)/p+1