1-[(2-bromophenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-bromobenzyl)piperazine-1,4-diium Formula: C23H33BrN3+3 MolecularWeight: 431.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H30BrN3/c24-23-9-5-4-8-21(23)19-26-14-16-27(17-15-26)22-10-12-25(13-11-22)18-20-6-2-1-3-7-20/h1-9,22H,10-19H2/p+3