N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-N-[(Z)-piperonylideneamino]propionamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NN=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N/N=C\C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N4O3/c1-19-6-8-20(9-7-19)5-4-16(21)18-17-11-13-2-3-14-15(10-13)23-12-22-14/h2-3,10-11H,4-9,12H2,1H3,(H,18,21)/p+1/b17-11-