N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzamide

Systemtic Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzamide Openeye Name: N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzamide CAS Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzamide IUPAC Name: N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzamide Traditional Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-N-[(Z)-piperonylideneamino]benzamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N/N=C\C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N4O3/c32-27(29-28-17-23-8-11-25-26(16-23)34-20-33-25)24-9-6-22(7-10-24)19-31-14-12-30(13-15-31)18-21-4-2-1-3-5-21/h1-11,16-17H,12-15,18-20H2,(H,29,32)/p+1/b28-17-