2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium chloride

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-azanium chloride Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium chloride CAS Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylammonium chloride IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethylazanium chloride Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]ethyl-(2-hydroxyethyl)-dimethyl-ammonium chloride Formula: C18H33ClN4O MolecularWeight: 356.93382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CC[N+](C)(C)CCO)N.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CC[N+](C)(C)CCO)N.[Cl-]

InChI

InChI=1S/C18H33N4O.ClH/c1-16-15-17(5-6-18(16)19)21-8-4-7-20(9-10-21)11-12-22(2,3)13-14-23;/h5-6,15,23H,4,7-14,19H2,1-3H3;1H/q+1;/p-1