3-[2-[1-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]phenyl]octadecanoate

Systemtic Name: 3-[2-[1-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]phenyl]octadecanoate Openeye Name: 3-[2-[1-[3-(dimethylamino)propylamino]-3-oxo-propyl]phenyl]octadecanoate CAS Name: 3-[2-[1-[3-(dimethylamino)propylamino]-3-oxopropyl]phenyl]octadecanoate IUPAC Name: 3-[2-[1-[3-(dimethylamino)propylamino]-3-oxopropyl]phenyl]octadecanoate Traditional Name: 3-[2-[1-[3-(dimethylamino)propylamino]-3-keto-propyl]phenyl]stearate Formula: C32H55N2O3- MolecularWeight: 515.7907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)[O-])C1=CC=CC=C1C(CC=O)NCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)[O-])C1=CC=CC=C1C(CC=O)NCCCN(C)C

InChI

InChI=1S/C32H56N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28(27-32(36)37)29-21-17-18-22-30(29)31(23-26-35)33-24-19-25-34(2)3/h17-18,21-22,26,28,31,33H,4-16,19-20,23-25,27H2,1-3H3,(H,36,37)/p-1