[5-methoxycarbonyl-6-methyl-5-(2-phenylphenyl)heptyl]-(phenylmethyl)azanium bromide

Systemtic Name: [5-methoxycarbonyl-6-methyl-5-(2-phenylphenyl)heptyl]-(phenylmethyl)azanium bromide Openeye Name: benzyl-[5-methoxycarbonyl-6-methyl-5-(2-phenylphenyl)heptyl]ammonium bromide CAS Name: [5-methoxycarbonyl-6-methyl-5-(2-phenylphenyl)heptyl]-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[5-methoxycarbonyl-6-methyl-5-(2-phenylphenyl)heptyl]azanium bromide Traditional Name: benzyl-[5-carbomethoxy-6-methyl-5-(2-phenylphenyl)heptyl]ammonium bromide Formula: C29H36BrNO2 MolecularWeight: 510.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC[NH2+]CC1=CC=CC=C1)(C2=CC=CC=C2C3=CC=CC=C3)C(=O)OC.[Br-]

Isomeric SMILES

CC(C)C(CCCC[NH2+]CC1=CC=CC=C1)(C2=CC=CC=C2C3=CC=CC=C3)C(=O)OC.[Br-]

InChI

InChI=1S/C29H35NO2.BrH/c1-23(2)29(28(31)32-3,20-12-13-21-30-22-24-14-6-4-7-15-24)27-19-11-10-18-26(27)25-16-8-5-9-17-25;/h4-11,14-19,23,30H,12-13,20-22H2,1-3H3;1H