3-chloranyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-3-chloro-benzonitrile CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-3-chlorobenzonitrile IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-3-chlorobenzonitrile Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-3-chloro-benzonitrile Formula: C19H19ClN3O+ MolecularWeight: 340.82666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O/c20-18-12-15(13-21)6-7-17(18)14-22-8-10-23(11-9-22)19(24)16-4-2-1-3-5-16/h1-7,12H,8-11,14H2/p+1