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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-bromophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-bromophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-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=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

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