2-[(E)-3-oxidanylidene-3-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-oxidanylidene-3-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-keto-prop-1-enyl]benzonitrile Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O3/c24-16-20-7-5-4-6-19(20)10-11-23(28)26-14-12-25(13-15-26)17-21(27)18-29-22-8-2-1-3-9-22/h1-11,21,27H,12-15,17-18H2/p+1/b11-10+/t21-/m0/s1