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

Systemtic Name: 2-[(3R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 2-[(3R)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(3R)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3R)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O2S/c1-12-17(23(24)25)13(2)22(20-12)11-21-9-5-6-14(10-21)18-19-15-7-3-4-8-16(15)26-18/h3-4,7-8,14H,5-6,9-11H2,1-2H3/p+1/t14-/m1/s1