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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]azepane Traditional Name: 1-[1-(4-bromobenzyl)piperidin-1-ium-4-yl]azepane Formula: C18H28BrN2+ MolecularWeight: 352.33232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H27BrN2/c19-17-7-5-16(6-8-17)15-20-13-9-18(10-14-20)21-11-3-1-2-4-12-21/h5-8,18H,1-4,9-15H2/p+1