(4-bromophenyl)methyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H25BrN3O+ MolecularWeight: 379.3146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C18H24BrN3O/c1-21(12-15-6-8-16(19)9-7-15)13-17(23)22(2)18(14-20)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3/p+1