[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-(4-piperonylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C19H25N3O2+2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C[NH3+]

InChI

InChI=1S/C19H23N3O2/c20-12-16-3-1-2-4-17(16)22-9-7-21(8-10-22)13-15-5-6-18-19(11-15)24-14-23-18/h1-6,11H,7-10,12-14,20H2/p+2