[(1S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-p-phenetyl-ethyl]ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C16H27N3O/c1-3-20-15-7-5-14(6-8-15)16(17)13-19-10-4-9-18(2)11-12-19/h5-8,16H,3-4,9-13,17H2,1-2H3/p+2/t16-/m1/s1