1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[1-(3-bromobenzyl)piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Formula: C18H31BrN3+3 MolecularWeight: 369.36284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H28BrN3/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)15-16-4-3-5-17(19)14-16/h3-5,14,18H,2,6-13,15H2,1H3/p+3