3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propanenitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propionitrile Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N

InChI

InChI=1S/C15H17N3O3/c16-4-3-15(19)18-7-5-17(6-8-18)10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3,5-8,10-11H2/p+1