1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C16H19N4S2+ MolecularWeight: 331.47886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H18N4S2/c1-18-9-10-20(16(18)21)11-19-8-4-6-13(19)15-17-12-5-2-3-7-14(12)22-15/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3/p+1/t13-/m1/s1