1-(2,3-dimethylphenyl)-3-(morpholin-4-ium-4-ylmethyl)imidazole-2-thione

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(morpholin-4-ium-4-ylmethyl)imidazole-2-thione Openeye Name: 1-(2,3-dimethylphenyl)-3-(morpholin-4-ium-4-ylmethyl)imidazole-2-thione CAS Name: 1-(2,3-dimethylphenyl)-3-(4-morpholin-4-iumylmethyl)-2-imidazolethione IUPAC Name: 1-(2,3-dimethylphenyl)-3-(morpholin-4-ium-4-ylmethyl)imidazole-2-thione Traditional Name: 1-(2,3-dimethylphenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-imidazoline-2-thione Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN(C2=S)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN(C2=S)C[NH+]3CCOCC3)C

InChI

InChI=1S/C16H21N3OS/c1-13-4-3-5-15(14(13)2)19-7-6-18(16(19)21)12-17-8-10-20-11-9-17/h3-7H,8-12H2,1-2H3/p+1