octadec-17-enyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium

Systemtic Name: octadec-17-enyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium Openeye Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enyl-ammonium CAS Name: bis(2-hydroxypropyl)-octadec-17-enyl-(phenylmethyl)ammonium IUPAC Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium Traditional Name: benzyl-bis(2-hydroxypropyl)-octadec-17-enyl-ammonium Formula: C31H56NO2+ MolecularWeight: 474.78184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O

Isomeric SMILES

CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O

InChI

InChI=1S/C31H56NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31/h4,19-21,23-24,29-30,33-34H,1,5-18,22,25-28H2,2-3H3/q+1