bis(4-methylphenyl)-[3-(octadecylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium

Systemtic Name: bis(4-methylphenyl)-[3-(octadecylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium Openeye Name: 3-(octadecylamino)propyl-[(2-oxopyrrolidin-1-yl)methyl]-bis(p-tolyl)ammonium CAS Name: bis(4-methylphenyl)-[3-(octadecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium IUPAC Name: bis(4-methylphenyl)-[3-(octadecylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium Traditional Name: (2-ketopyrrolidino)methyl-bis(p-tolyl)-[3-(stearylamino)propyl]ammonium Formula: C40H66N3O+ MolecularWeight: 604.97154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCC[N+](CN1CCCC1=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCC[N+](CN1CCCC1=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C40H66N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-41-32-21-34-43(35-42-33-20-22-40(42)44,38-27-23-36(2)24-28-38)39-29-25-37(3)26-30-39/h23-30,41H,4-22,31-35H2,1-3H3/q+1