[3-ethyl-4-(phenylmethyl)octadecan-3-yl]azanium carbonate

Systemtic Name: [3-ethyl-4-(phenylmethyl)octadecan-3-yl]azanium carbonate Openeye Name: (2-benzyl-1,1-diethyl-hexadecyl)ammonium carbonate CAS Name: [3-ethyl-4-(phenylmethyl)octadecan-3-yl]ammonium carbonate IUPAC Name: (4-benzyl-3-ethyloctadecan-3-yl)azanium carbonate Traditional Name: (2-benzyl-1,1-diethyl-hexadecyl)ammonium carbonate Formula: C28H50NO3- MolecularWeight: 448.7015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(CC)(CC)[NH3+].C(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(CC)(CC)[NH3+].C(=O)([O-])[O-]

InChI

InChI=1S/C27H49N.CH2O3/c1-4-7-8-9-10-11-12-13-14-15-16-20-23-26(27(28,5-2)6-3)24-25-21-18-17-19-22-25;2-1(3)4/h17-19,21-22,26H,4-16,20,23-24,28H2,1-3H3;(H2,2,3,4)/p-1