1-[3-[(E)-octadec-3-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethanamine

Systemtic Name: 1-[3-[(E)-octadec-3-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethanamine Openeye Name: 1-[3-[(E)-1-methylheptadec-2-enyl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethanamine CAS Name: 1-[3-[(E)-octadec-3-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethanamine IUPAC Name: 1-[3-[(E)-octadec-3-en-2-yl]-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethanamine Traditional Name: 1-[1-[(E)-1-methylheptadec-2-enyl]-2-imidazolin-1-ium-2-yl]ethylamine Formula: C23H46N3+ MolecularWeight: 364.63144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C)[N+]1=C(NCC1)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(C)[N+]1=C(NCC1)C(C)N

InChI

InChI=1S/C23H45N3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)26-20-19-25-23(26)22(3)24/h17-18,21-22H,4-16,19-20,24H2,1-3H3/p+1/b18-17+