6-[(3R,5S)-3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-4-sulfanylidene-pyrrolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(3R,5S)-3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-4-sulfanylidene-pyrrolidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(3R,5S)-3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-4-thioxo-pyrrolidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(3R,5S)-3-phenyl-5-(1-piperidin-1-iumylmethyl)-4-sulfanylidene-2-pyrrolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(3R,5S)-3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-4-sulfanylidenepyrrolidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(3R,5S)-3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-4-thioxo-pyrrolidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H25N2OS+ MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C(=S)C(C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)C[C@H]2C(=S)[C@@H](C(=C3C=CC=CC3=O)N2)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2OS/c25-19-12-6-5-11-17(19)21-20(16-9-3-1-4-10-16)22(26)18(23-21)15-24-13-7-2-8-14-24/h1,3-6,9-12,18,20,23H,2,7-8,13-15H2/p+1/t18-,20+/m0/s1