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

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-benzyloxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-phenylmethoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-benzoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-2-23-12-14-24(15-13-23)21(16-22)19-8-10-20(11-9-19)25-17-18-6-4-3-5-7-18/h3-11,21H,2,12-17,22H2,1H3/p+2/t21-/m1/s1