[3-[[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[1-(3-bromobenzyl)piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C20H34BrN3O+2 MolecularWeight: 412.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Br)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Br)C[NH+](C)C

InChI

InChI=1S/C20H32BrN3O/c1-20(2,15-23(3)4)14-22-19(25)17-8-10-24(11-9-17)13-16-6-5-7-18(21)12-16/h5-7,12,17H,8-11,13-15H2,1-4H3,(H,22,25)/p+2