2-[dimethylamino-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]propanedinitrile

Systemtic Name: 2-[dimethylamino-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]propanedinitrile Openeye Name: 2-[(4-benzylpiperazin-4-ium-1-yl)-(dimethylamino)methylene]propanedinitrile CAS Name: 2-[dimethylamino-[4-(phenylmethyl)-1-piperazin-4-iumyl]methylidene]propanedinitrile IUPAC Name: 2-[(4-benzylpiperazin-4-ium-1-yl)-(dimethylamino)methylidene]propanedinitrile Traditional Name: 2-[(4-benzylpiperazin-4-ium-1-yl)-(dimethylamino)methylene]malononitrile Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=C(C#N)C#N)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=C(C#N)C#N)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H21N5/c1-20(2)17(16(12-18)13-19)22-10-8-21(9-11-22)14-15-6-4-3-5-7-15/h3-7H,8-11,14H2,1-2H3/p+1