N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-phenylmethoxy-1-(trimethylazaniumyl)butan-2-yl]oxy-butanimidate hydrobromide

Systemtic Name: N-(3,5-dimethyl-1-adamantyl)-4-oxidanylidene-4-[(2R)-4-oxidanylidene-4-phenylmethoxy-1-(trimethylazaniumyl)butan-2-yl]oxy-butanimidate hydrobromide Openeye Name: 4-[(1R)-3-benzyloxy-3-oxo-1-[(trimethylammonio)methyl]propoxy]-N-(3,5-dimethyl-1-adamantyl)-4-oxo-butanimidate hydrobromide CAS Name: N-(3,5-dimethyl-1-adamantyl)-4-oxo-4-[(2R)-4-oxo-4-phenylmethoxy-1-(trimethylammonio)butan-2-yl]oxybutanimidate hydrobromide IUPAC Name: N-(3,5-dimethyl-1-adamantyl)-4-oxo-4-[(2R)-4-oxo-4-phenylmethoxy-1-(trimethylazaniumyl)butan-2-yl]oxybutanimidate hydrobromide Traditional Name: 4-[(1R)-3-benzoxy-3-keto-1-[(trimethylammonio)methyl]propoxy]-N-(3,5-dimethyl-1-adamantyl)-4-keto-butyrimidate hydrobromide Formula: C30H45BrN2O5 MolecularWeight: 593.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N=C(CCC(=O)OC(CC(=O)OCC4=CC=CC=C4)C[N+](C)(C)C)[O-])C.Br

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N=C(CCC(=O)O[C@H](CC(=O)OCC4=CC=CC=C4)C[N+](C)(C)C)[O-])C.Br

InChI

InChI=1S/C30H44N2O5.BrH/c1-28-14-23-15-29(2,19-28)21-30(16-23,20-28)31-25(33)11-12-26(34)37-24(17-32(3,4)5)13-27(35)36-18-22-9-7-6-8-10-22;/h6-10,23-24H,11-21H2,1-5H3;1H/t23?,24-,28?,29?,30?;/m1./s1