1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(1-methyl-2-pyrrolyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-bromobenzyl)-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Formula: C17H24BrN3+2 MolecularWeight: 350.29656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H22BrN3/c1-19-8-2-3-17(19)14-21-11-9-20(10-12-21)13-15-4-6-16(18)7-5-15/h2-8H,9-14H2,1H3/p+2