2-[(2R)-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(p-tolylmethyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(4-methylbenzyl)pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C19H21N2S+ MolecularWeight: 309.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2S/c1-14-8-10-15(11-9-14)13-21-12-4-6-17(21)19-20-16-5-2-3-7-18(16)22-19/h2-3,5,7-11,17H,4,6,12-13H2,1H3/p+1/t17-/m1/s1