N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: 1-(4-benzylpiperazin-1-ium-1-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-[4-(phenylmethyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: 1-(4-benzylpiperazin-1-ium-1-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Traditional Name: [amino-(4-benzylpiperazin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C18H25N6+ MolecularWeight: 325.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)CC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)CC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H24N6/c1-14-12-15(2)21-18(20-14)22-17(19)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H2,19,20,21,22)/p+1