[(1S)-1-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(1S)-1-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-2-(4-ethylpiperazin-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:

CC[NH+]1CCN(CC1)CC(C2=CC=CC=C2OCC)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](C2=CC=CC=C2OCC)[NH3+]

InChI

InChI=1S/C16H27N3O/c1-3-18-9-11-19(12-10-18)13-15(17)14-7-5-6-8-16(14)20-4-2/h5-8,15H,3-4,9-13,17H2,1-2H3/p+2/t15-/m1/s1