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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-3-20-16-8-5-4-7-14(16)15(17)13-19-10-6-9-18(2)11-12-19/h4-5,7-8,15H,3,6,9-13,17H2,1-2H3/p+2/t15-/m1/s1