1,5-dimethyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrrole-2-carbonitrile Traditional Name: 1,5-dimethyl-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrrole-2-carbonitrile Formula: C13H20N5+ MolecularWeight: 246.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N5/c1-11-12(8-13(9-14)17(11)3)10-15-18-6-4-16(2)5-7-18/h8,10H,4-7H2,1-3H3/p+1/b15-10-