1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-bromobenzyl)-4-piperonyl-piperazin-1-ium Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21BrN2O2/c20-17-4-2-1-3-16(17)13-22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)24-14-23-18/h1-6,11H,7-10,12-14H2/p+1