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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC5=CC=CC=C54

InChI

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