3-(3-azanylpropylamino)propyl-[2-[4-(butylamino)phenyl]carbonyloxyethyl]-dimethyl-azanium

Systemtic Name: 3-(3-azanylpropylamino)propyl-[2-[4-(butylamino)phenyl]carbonyloxyethyl]-dimethyl-azanium Openeye Name: 3-(3-aminopropylamino)propyl-[2-[4-(butylamino)benzoyl]oxyethyl]-dimethyl-ammonium CAS Name: 3-(3-aminopropylamino)propyl-[2-[[4-(butylamino)phenyl]-oxomethoxy]ethyl]-dimethylammonium IUPAC Name: 3-(3-aminopropylamino)propyl-[2-[4-(butylamino)benzoyl]oxyethyl]-dimethylazanium Traditional Name: 3-(3-aminopropylamino)propyl-[2-[4-(butylamino)benzoyl]oxyethyl]-dimethyl-ammonium Formula: C21H39N4O2+ MolecularWeight: 379.55996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCC[N+](C)(C)CCCNCCCN

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCC[N+](C)(C)CCCNCCCN

InChI

InChI=1S/C21H38N4O2/c1-4-5-15-24-20-10-8-19(9-11-20)21(26)27-18-17-25(2,3)16-7-14-23-13-6-12-22/h8-11,23H,4-7,12-18,22H2,1-3H3/p+1