6-nitro-2-[4-(phenylmethyl)piperidin-1-yl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[4-(phenylmethyl)piperidin-1-yl]-1,3-benzothiazole Openeye Name: 2-(4-benzyl-1-piperidyl)-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-(4-benzylpiperidin-1-yl)-6-nitro-1,3-benzothiazole Traditional Name: 2-(4-benzylpiperidino)-6-nitro-1,3-benzothiazole Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O2S/c23-22(24)16-6-7-17-18(13-16)25-19(20-17)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2