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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-[(Z)-3-pyridylmethyleneamino]propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-N-[(Z)-3-pyridinylmethylideneamino]propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-yl)-N-[(Z)-3-pyridylmethyleneamino]propionamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC(=O)NN=CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC(=O)N/N=C\C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O3/c27-21(24-23-14-18-2-1-6-22-13-18)5-7-25-8-10-26(11-9-25)15-17-3-4-19-20(12-17)29-16-28-19/h1-4,6,12-14H,5,7-11,15-16H2,(H,24,27)/p+1/b23-14-