2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-ethanoyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-ethanoyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[acetyl-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[acetyl-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[acetyl-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[acetyl-[2-(dimethylamino)-5-(isovalerylamino)benzyl]amino]ethyl-dimethyl-ammonium Formula: C20H35N4O2+ MolecularWeight: 363.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C

InChI

InChI=1S/C20H34N4O2/c1-15(2)12-20(26)21-18-8-9-19(23(6)7)17(13-18)14-24(16(3)25)11-10-22(4)5/h8-9,13,15H,10-12,14H2,1-7H3,(H,21,26)/p+1