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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O3/c29-25(26-15-19-8-9-23-24(14-19)31-18-30-23)17-28-12-10-27(11-13-28)16-21-6-3-5-20-4-1-2-7-22(20)21/h1-9,14H,10-13,15-18H2,(H,26,29)/p+1