[2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-4-(octadecanoylcarbamoyl)hexyl]-ethyl-dimethyl-azanium

Systemtic Name: [2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-4-(octadecanoylcarbamoyl)hexyl]-ethyl-dimethyl-azanium Openeye Name: [2-(3-amino-2-methyl-3-oxo-propyl)-4-(octadecanoylcarbamoyl)hexyl]-ethyl-dimethyl-ammonium CAS Name: [2-(3-amino-2-methyl-3-oxopropyl)-4-[oxo-(1-oxooctadecylamino)methyl]hexyl]-ethyl-dimethylammonium IUPAC Name: [2-(3-amino-2-methyl-3-oxopropyl)-4-(octadecanoylcarbamoyl)hexyl]-ethyl-dimethylazanium Traditional Name: [2-(3-amino-3-keto-2-methyl-propyl)-4-(stearoylcarbamoyl)hexyl]-ethyl-dimethyl-ammonium Formula: C33H66N3O3+ MolecularWeight: 552.89544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C(CC)CC(CC(C)C(=O)N)C[N+](C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C(CC)CC(CC(C)C(=O)N)C[N+](C)(C)CC

InChI

InChI=1S/C33H65N3O3/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(37)35-33(39)30(8-2)26-29(25-28(4)32(34)38)27-36(5,6)9-3/h28-30H,7-27H2,1-6H3,(H2-,34,35,37,38,39)/p+1