2-[(2R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O2S/c1-11-16(22(23)24)12(2)21(19-11)10-20-9-5-7-14(20)17-18-13-6-3-4-8-15(13)25-17/h3-4,6,8,14H,5,7,9-10H2,1-2H3/p+1/t14-/m1/s1