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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1-naphthylmethyl)oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1-naphthylmethyl)-5-(4-piperonylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C27H25N4O3+ MolecularWeight: 453.5124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)CC5=CC=CC6=CC=CC=C65)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)CC5=CC=CC6=CC=CC=C65)C#N

InChI

InChI=1S/C27H24N4O3/c28-16-23-27(34-26(29-23)15-21-6-3-5-20-4-1-2-7-22(20)21)31-12-10-30(11-13-31)17-19-8-9-24-25(14-19)33-18-32-24/h1-9,14H,10-13,15,17-18H2/p+1