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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1-naphthyl)oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1-naphthalenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1-naphthyl)-5-(4-piperonylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C26H23N4O3+ MolecularWeight: 439.48582

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)C5=CC=CC6=CC=CC=C65)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)C5=CC=CC6=CC=CC=C65)C#N

InChI

InChI=1S/C26H22N4O3/c27-15-22-26(33-25(28-22)21-7-3-5-19-4-1-2-6-20(19)21)30-12-10-29(11-13-30)16-18-8-9-23-24(14-18)32-17-31-23/h1-9,14H,10-13,16-17H2/p+1