1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H21BrN2O3/c1-23-16-4-2-3-15(10-16)22-7-5-21(6-8-22)12-14-9-18-19(11-17(14)20)25-13-24-18/h2-4,9-11H,5-8,12-13H2,1H3/p+1