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

Systemtic Name: 3-chloranyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-chloro-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C18H19ClN3+ MolecularWeight: 312.81656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3/c19-18-12-15(13-20)6-7-16(18)14-21-8-10-22(11-9-21)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2/p+1