1-[(4-bromanylthiophen-2-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C17H22BrN2OS+ MolecularWeight: 382.33838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CS3)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CS3)Br

InChI

InChI=1S/C17H21BrN2OS/c1-2-21-17-6-4-3-5-16(17)20-9-7-19(8-10-20)12-15-11-14(18)13-22-15/h3-6,11,13H,2,7-10,12H2,1H3/p+1