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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-propyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-propyl-oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-propyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-propyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-piperonylpiperazin-4-ium-1-yl)-2-propyl-oxazole-4-carbonitrile Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCCC1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C19H22N4O3/c1-2-3-18-21-15(11-20)19(26-18)23-8-6-22(7-9-23)12-14-4-5-16-17(10-14)25-13-24-16/h4-5,10H,2-3,6-9,12-13H2,1H3/p+1