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

Systemtic Name: 2-[cyclopropylcarbonyl-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclopropanecarbonyl-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[cyclopropyl(oxo)methyl]-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclopropanecarbonyl-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclopropanecarbonyl-[2-(dimethylamino)-5-(isovalerylamino)benzyl]amino]ethyl-dimethyl-ammonium Formula: C22H37N4O2+ MolecularWeight: 389.55478

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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)C2CC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C2CC2

InChI

InChI=1S/C22H36N4O2/c1-16(2)13-21(27)23-19-9-10-20(25(5)6)18(14-19)15-26(12-11-24(3)4)22(28)17-7-8-17/h9-10,14,16-17H,7-8,11-13,15H2,1-6H3,(H,23,27)/p+1