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

Systemtic Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-piperonylideneamino]propionamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c26-21(23-22-15-17-6-7-19-20(14-17)28-16-27-19)8-9-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-7,14-15H,8-13,16H2,(H,23,26)/p+1/b22-15-