[(3R)-1,4-dimethyl-1-phenethyl-piperidin-1-ium-3-yl] N-phenyl-N-(phenylmethyl)carbamate bromide

Systemtic Name: [(3R)-1,4-dimethyl-1-phenethyl-piperidin-1-ium-3-yl] N-phenyl-N-(phenylmethyl)carbamate bromide Openeye Name: [(3R)-1,4-dimethyl-1-phenethyl-piperidin-1-ium-3-yl] N-benzyl-N-phenyl-carbamate bromide CAS Name: N-phenyl-N-(phenylmethyl)carbamic acid [(3R)-1,4-dimethyl-1-phenethyl-3-piperidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1,4-dimethyl-1-phenethylpiperidin-1-ium-3-yl] N-benzyl-N-phenylcarbamate bromide Traditional Name: N-benzyl-N-phenyl-carbamic acid [(3R)-1,4-dimethyl-1-phenethyl-piperidin-1-ium-3-yl] ester bromide Formula: C29H35BrN2O2 MolecularWeight: 523.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1OC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)(C)CCC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1CC[N+](C[C@@H]1OC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)(C)CCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H35N2O2.BrH/c1-24-18-20-31(2,21-19-25-12-6-3-7-13-25)23-28(24)33-29(32)30(27-16-10-5-11-17-27)22-26-14-8-4-9-15-26;/h3-17,24,28H,18-23H2,1-2H3;1H/q+1;/p-1/t24?,28-,31?;/m0./s1