2-[1-[(4-methoxyphenyl)methyl]imidazol-1-ium-1-yl]sulfanylethanamine

Systemtic Name: 2-[1-[(4-methoxyphenyl)methyl]imidazol-1-ium-1-yl]sulfanylethanamine Openeye Name: 2-[1-[(4-methoxyphenyl)methyl]imidazol-1-ium-1-yl]sulfanylethanamine CAS Name: 2-[[1-[(4-methoxyphenyl)methyl]-1-imidazol-1-iumyl]thio]ethanamine IUPAC Name: 2-[1-[(4-methoxyphenyl)methyl]imidazol-1-ium-1-yl]sulfanylethanamine Traditional Name: 2-[(1-p-anisylimidazol-1-ium-1-yl)thio]ethylamine Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(C=CN=C2)SCCN

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(C=CN=C2)SCCN

InChI

InChI=1S/C13H18N3OS/c1-17-13-4-2-12(3-5-13)10-16(18-9-6-14)8-7-15-11-16/h2-5,7-8,11H,6,9-10,14H2,1H3/q+1