1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C22H30BrN3+2 MolecularWeight: 416.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H28BrN3/c23-20-8-6-19(7-9-20)18-24-12-10-22(11-13-24)26-16-14-25(15-17-26)21-4-2-1-3-5-21/h1-9,22H,10-18H2/p+2