[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]benzyl]ammonium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C[NH3+])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C[NH3+])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O2/c21-12-16-1-3-17(4-2-16)13-22-7-9-23(10-8-22)14-18-5-6-19-20(11-18)25-15-24-19/h1-6,11H,7-10,12-15,21H2/p+2