4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(2-bromophenyl)methyl]aniline

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(2-bromophenyl)methyl]aniline Openeye Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(2-bromophenyl)methyl]aniline CAS Name: 4-[2-(1-azepan-1-iumyl)ethyl]-N-[(2-bromophenyl)methyl]aniline IUPAC Name: 4-[2-(azepan-1-ium-1-yl)ethyl]-N-[(2-bromophenyl)methyl]aniline Traditional Name: [4-[2-(azepan-1-ium-1-yl)ethyl]phenyl]-(2-bromobenzyl)amine Formula: C21H28BrN2+ MolecularWeight: 388.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC=CC=C3Br

Isomeric SMILES

C1CCC[NH+](CC1)CCC2=CC=C(C=C2)NCC3=CC=CC=C3Br

InChI

InChI=1S/C21H27BrN2/c22-21-8-4-3-7-19(21)17-23-20-11-9-18(10-12-20)13-16-24-14-5-1-2-6-15-24/h3-4,7-12,23H,1-2,5-6,13-17H2/p+1