N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-ylidene]methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[4-(3-methoxyphenyl)piperazin-1-ium-1-ylidene]methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C18H25N6O+ MolecularWeight: 341.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O/c1-13-11-14(2)21-18(20-13)22-17(19)24-9-7-23(8-10-24)15-5-4-6-16(12-15)25-3/h4-6,11-12H,7-10H2,1-3H3,(H2,19,20,21,22)/p+1