(1S,5R)-N-(4-bromanyl-3-methyl-phenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine

Systemtic Name: (1S,5R)-N-(4-bromanyl-3-methyl-phenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine Openeye Name: (1S,5R)-N-(4-bromo-3-methyl-phenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine CAS Name: (1S,5R)-N-(4-bromo-3-methylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine IUPAC Name: (1S,5R)-N-(4-bromo-3-methylphenyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-amine Traditional Name: (4-bromo-3-methyl-phenyl)-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]amine Formula: C15H22BrN2+ MolecularWeight: 310.25258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2CC3CCC(C2)[NH+]3C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)Br

InChI

InChI=1S/C15H21BrN2/c1-10-7-11(3-6-15(10)16)17-12-8-13-4-5-14(9-12)18(13)2/h3,6-7,12-14,17H,4-5,8-9H2,1-2H3/p+1/t12?,13-,14+