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

Systemtic Name: 2-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl-ethanoyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[acetyl-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[acetyl-[[2-(dimethylamino)-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[acetyl-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[acetyl-[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)benzyl]amino]ethyl-dimethyl-ammonium Formula: C21H37N4O2+ MolecularWeight: 377.54408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O2/c1-16(26)25(12-11-23(5)6)15-17-13-18(9-10-19(17)24(7)8)22-20(27)14-21(2,3)4/h9-10,13H,11-12,14-15H2,1-8H3,(H,22,27)/p+1