1,3-bis(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(2-methoxyphenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(2-methoxyphenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)N(C2=S)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)N(C2=S)C4=CC=CC=C4OC

InChI

InChI=1S/C26H30N4O4S/c1-33-22-12-6-4-10-20(22)29-24(31)19(18-27-14-17-28-15-8-3-9-16-28)25(32)30(26(29)35)21-11-5-7-13-23(21)34-2/h4-7,10-13,18,27H,3,8-9,14-17H2,1-2H3/p+1