[(Z,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]azanium

Systemtic Name: [(Z,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]azanium Openeye Name: [(Z,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]ammonium CAS Name: [(Z,2S)-2-(4-ethyl-1-piperazin-4-iumyl)-4-phenylbut-3-enyl]ammonium IUPAC Name: [(Z,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenylbut-3-enyl]azanium Traditional Name: [(Z,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]ammonium Formula: C16H27N3+2 MolecularWeight: 261.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3/c1-2-18-10-12-19(13-11-18)16(14-17)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14,17H2,1H3/p+2/b9-8-/t16-/m0/s1