1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenylpiperazin-1-ium Traditional Name: 1-phenyl-4-piperonyl-piperazin-4-ium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c1-2-4-16(5-3-1)20-10-8-19(9-11-20)13-15-6-7-17-18(12-15)22-14-21-17/h1-7,12H,8-11,13-14H2/p+1