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

Systemtic Name: 3-chloranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 3-chloro-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 3-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C13H17ClN3+ MolecularWeight: 250.74718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H16ClN3/c1-16-4-6-17(7-5-16)10-12-3-2-11(9-15)8-13(12)14/h2-3,8H,4-7,10H2,1H3/p+1