2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(1-hydroxyethyl)-2-[(E)-octadec-9-enyl]imidazol-1-ium-1-yl]acetic acid Formula: C25H45N2O3+ MolecularWeight: 421.6364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O

InChI

InChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26-20-21-27(24,23(2)28)22-25(29)30/h10-11,20-21,23,28H,3-9,12-19,22H2,1-2H3/p+1/b11-10+