N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenylpiperazin-1-ium-1-ylidene)methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenylpiperazin-1-ium-1-ylidene)methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenylpiperazin-1-ium-1-ylidene)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-(4-phenyl-1-piperazin-1-iumylidene)methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenylpiperazin-1-ium-1-ylidene)methanediamine Traditional Name: [amino-(4-phenylpiperazin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C17H23N6+ MolecularWeight: 311.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=CC=CC=C3)N)C

InChI

InChI=1S/C17H22N6/c1-13-12-14(2)20-17(19-13)21-16(18)23-10-8-22(9-11-23)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/p+1