2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H26N5S2+ MolecularWeight: 388.57324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N5S2/c1-2-3-6-11-22-13-20-24(19(22)25)14-23-12-7-9-16(23)18-21-15-8-4-5-10-17(15)26-18/h4-5,8,10,13,16H,2-3,6-7,9,11-12,14H2,1H3/p+1/t16-/m1/s1