(5-chloranyl-2-ethoxy-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium

Systemtic Name: (5-chloranyl-2-ethoxy-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Openeye Name: (5-chloro-2-ethoxy-phenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]ammonium CAS Name: (5-chloro-2-ethoxyphenyl)methyl-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]ammonium IUPAC Name: (5-chloro-2-ethoxyphenyl)methyl-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]azanium Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]ammonium Formula: C18H25ClN3OS+ MolecularWeight: 366.9286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H24ClN3OS/c1-4-23-17-7-6-16(19)11-15(17)12-20-8-5-9-24-18-21-13(2)10-14(3)22-18/h6-7,10-11,20H,4-5,8-9,12H2,1-3H3/p+1