1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

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