(4-methoxyphenyl)-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methoxyphenyl)-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methoxyphenyl)-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methoxyphenyl)-[1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C21H22N2O3S/c1-25-17-8-6-15(7-9-17)20(24)16-10-12-22(13-11-16)14-23-18-4-2-3-5-19(18)26-21(23)27/h2-9,16H,10-14H2,1H3/p+1