1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-bromobenzyl)-4-[(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C17H23BrN3+ MolecularWeight: 349.28862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCN(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+1