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

Systemtic Name: [(Z,2S)-4-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]but-3-enyl]azanium Openeye Name: [(Z,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]ammonium CAS Name: [(Z,2S)-4-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]but-3-enyl]ammonium IUPAC Name: [(Z,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenylbut-3-enyl]azanium Traditional Name: [(Z,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-4-phenyl-but-3-enyl]ammonium Formula: C21H29N3+2 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(C[NH3+])C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@H](C[NH3+])/C=C\C3=CC=CC=C3

InChI

InChI=1S/C21H27N3/c22-17-21(12-11-19-7-3-1-4-8-19)24-15-13-23(14-16-24)18-20-9-5-2-6-10-20/h1-12,21H,13-18,22H2/p+2/b12-11-/t21-/m0/s1