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

Systemtic Name: [1-[(3-cyclopropyl-2-sulfanylidene-imidazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-[(3-cyclopropyl-2-thioxo-imidazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-[(3-cyclopropyl-2-sulfanylidene-1-imidazolyl)methyl]-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-[(3-cyclopropyl-2-sulfanylideneimidazol-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-[(3-cyclopropyl-2-thioxo-4-imidazolin-1-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C=CN(C3=S)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CN3C=CN(C3=S)C4CC4

InChI

InChI=1S/C20H25N3O2S/c1-25-18-6-2-15(3-7-18)19(24)16-8-10-21(11-9-16)14-22-12-13-23(20(22)26)17-4-5-17/h2-3,6-7,12-13,16-17H,4-5,8-11,14H2,1H3/p+1