2-butoxycarbonyl-2-propan-2-yl-hexanoic acid; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-butoxycarbonyl-2-propan-2-yl-hexanoic acid; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-butoxycarbonyl-2-isopropyl-hexanoic acid CAS Name: 2-[butoxy(oxo)methyl]-2-propan-2-ylhexanoic acid; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-butoxycarbonyl-2-propan-2-ylhexanoic acid Traditional Name: benzyl(trimethyl)ammonium; 2-butoxycarbonyl-2-isopropyl-hexanoic acid Formula: C24H42NO4+ MolecularWeight: 408.59458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C)(C(=O)O)C(=O)OCCCC.C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(C)C)(C(=O)O)C(=O)OCCCC.C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H26O4.C10H16N/c1-5-7-9-14(11(3)4,12(15)16)13(17)18-10-8-6-2;1-11(2,3)9-10-7-5-4-6-8-10/h11H,5-10H2,1-4H3,(H,15,16);4-8H,9H2,1-3H3/q;+1