3-chloranyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzonitrile CAS Name: 3-chloro-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzonitrile IUPAC Name: 3-chloro-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Traditional Name: 3-chloro-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzonitrile Formula: C13H18ClN3+2 MolecularWeight: 251.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2