dimethyl-[2-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: dimethyl-[2-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium Openeye Name: [2-(4-isopropyl-3-methyl-phenoxy)-2-oxo-ethyl]-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: dimethyl-[2-(3-methyl-4-propan-2-ylphenoxy)-2-oxoethyl]-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: dimethyl-[2-(3-methyl-4-propan-2-ylphenoxy)-2-oxoethyl]-[3-(octadecanoylamino)propyl]azanium Traditional Name: [2-(4-isopropyl-3-methyl-phenoxy)-2-keto-ethyl]-dimethyl-(3-stearamidopropyl)ammonium Formula: C35H63N2O3+ MolecularWeight: 559.88632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OC1=CC(=C(C=C1)C(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OC1=CC(=C(C=C1)C(C)C)C

InChI

InChI=1S/C35H62N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34(38)36-26-22-27-37(5,6)29-35(39)40-32-24-25-33(30(2)3)31(4)28-32/h24-25,28,30H,7-23,26-27,29H2,1-6H3/p+1