4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C19H19ClN3O+ MolecularWeight: 340.82666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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