2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-(1-oxopropylamino)phenyl]methyl-(2-methyl-1-oxopropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-propionamido-benzyl]-isobutyryl-amino]ethyl-dimethyl-ammonium Formula: C20H35N4O2+ MolecularWeight: 363.5175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O2/c1-8-19(25)21-17-9-10-18(23(6)7)16(13-17)14-24(12-11-22(4)5)20(26)15(2)3/h9-10,13,15H,8,11-12,14H2,1-7H3,(H,21,25)/p+1