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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CCOC4=CC=CC=C4

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+1