3-(5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazol-4-yl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-olate

Systemtic Name: 3-(5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazol-4-yl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-olate Openeye Name: 3-(1-allyl-5-oxo-2-thioxo-imidazol-4-yl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-olate CAS Name: 3-(5-oxo-1-prop-2-enyl-2-sulfanylidene-4-imidazolyl)-1-(1-piperidin-1-iumylmethyl)-2-indololate IUPAC Name: 3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazol-4-yl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-olate Traditional Name: 3-(1-allyl-5-keto-2-thioxo-3-imidazolin-4-yl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-olate Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=NC1=S)C2=C(N(C3=CC=CC=C32)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

C=CCN1C(=O)C(=NC1=S)C2=C(N(C3=CC=CC=C32)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C20H22N4O2S/c1-2-10-23-19(26)17(21-20(23)27)16-14-8-4-5-9-15(14)24(18(16)25)13-22-11-6-3-7-12-22/h2,4-5,8-9,25H,1,3,6-7,10-13H2