(2S)-2-phenyl-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2S)-2-phenyl-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H22N4O/c24-18-22(19-6-2-1-3-7-19)26-14-16-27(17-15-26)23(28)20-8-10-21(11-9-20)25-12-4-5-13-25/h1-13,22H,14-17H2/p+1/t22-/m1/s1