2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl-dicyclohexyl-azanium

Systemtic Name: 2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl-dicyclohexyl-azanium Openeye Name: 2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl-dicyclohexyl-ammonium CAS Name: 2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl-dicyclohexylammonium IUPAC Name: 2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl-dicyclohexylazanium Traditional Name: 2-[4-[(4-bromobenzyl)amino]phenyl]ethyl-dicyclohexyl-ammonium Formula: C27H38BrN2+ MolecularWeight: 470.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)[NH+](CCC2=CC=C(C=C2)NCC3=CC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C27H37BrN2/c28-24-15-11-23(12-16-24)21-29-25-17-13-22(14-18-25)19-20-30(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h11-18,26-27,29H,1-10,19-21H2/p+1