1-(1,3-benzodioxol-5-yl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-piperonylidene-amine Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O2/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)27-13-15-28(16-14-27)26-18-20-11-12-23-24(17-20)30-19-29-23/h1-12,17-18,25H,13-16,19H2/p+1