2-[4-(4-azanyl-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride

Systemtic Name: 2-[4-(4-azanyl-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride Openeye Name: 2-[4-(4-amino-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride CAS Name: 2-[4-(4-amino-3-methylphenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride IUPAC Name: 2-[4-(4-amino-3-methylphenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride Traditional Name: 2-[4-(4-amino-3-methyl-phenyl)-1-ethyl-1,4-diazepan-1-ium-1-yl]ethanol chloride Formula: C16H28ClN3O MolecularWeight: 313.86602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCN(CC1)C2=CC(=C(C=C2)N)C)CCO.[Cl-]

Isomeric SMILES

CC[N+]1(CCCN(CC1)C2=CC(=C(C=C2)N)C)CCO.[Cl-]

InChI

InChI=1S/C16H28N3O.ClH/c1-3-19(11-12-20)9-4-7-18(8-10-19)15-5-6-16(17)14(2)13-15;/h5-6,13,20H,3-4,7-12,17H2,1-2H3;1H/q+1;/p-1