3-[[2-(1-adamantyl)-3-[3-(dimethylazaniumyl)propylamino]-3-oxidanylidene-propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(1-adamantyl)-3-[3-(dimethylazaniumyl)propylamino]-3-oxidanylidene-propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1-adamantyl)-3-[3-(dimethylammonio)propylamino]-3-oxo-propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1-adamantyl)-3-[3-(dimethylammonio)propylamino]-1,3-dioxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(1-adamantyl)-3-[3-(dimethylazaniumyl)propylamino]-3-oxopropanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(1-adamantyl)-3-[3-(dimethylammonio)propylamino]-3-keto-propanoyl]amino]propyl-dimethyl-ammonium Formula: C23H44N4O2+2 MolecularWeight: 408.62106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(C(=O)NCCC[NH+](C)C)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(C(=O)NCCC[NH+](C)C)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C23H42N4O2/c1-26(2)9-5-7-24-21(28)20(22(29)25-8-6-10-27(3)4)23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,5-16H2,1-4H3,(H,24,28)(H,25,29)/p+2