[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-phenoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenyl)ethyl]ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O/c1-2-22-11-13-23(14-12-22)20(16-21)17-7-6-10-19(15-17)24-18-8-4-3-5-9-18/h3-10,15,20H,2,11-14,16,21H2,1H3/p+2/t20-/m1/s1