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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-pentan-3-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1-ethylpropyl)oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-pentan-3-yl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-pentan-3-yl-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1-ethylpropyl)-5-(4-piperonylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC(CC)C1=NC(=C(O1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H26N4O3/c1-3-16(4-2)20-23-17(12-22)21(28-20)25-9-7-24(8-10-25)13-15-5-6-18-19(11-15)27-14-26-18/h5-6,11,16H,3-4,7-10,13-14H2,1-2H3/p+1