5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiol

Systemtic Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiol Openeye Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-thiazole-4-thiol CAS Name: 5-methyl-3-(4-nitrophenyl)-2-(1-piperidin-1-iumylidene)-4-thiazolethiol IUPAC Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-1,3-thiazole-4-thiol Traditional Name: 5-methyl-3-(4-nitrophenyl)-2-piperidin-1-ium-1-ylidene-4-thiazoline-4-thiol Formula: C15H18N3O2S2+ MolecularWeight: 336.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C15H17N3O2S2/c1-11-14(21)17(12-5-7-13(8-6-12)18(19)20)15(22-11)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3/p+1