1,3-bis(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-bis(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-bis(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(2-methoxyphenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-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(C(=O)N(C2=S)C3=CC=CC=C3OC)C=NCC[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(C(=O)N(C2=S)C3=CC=CC=C3OC)C=NCC[NH+]4CCCCC4

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/h4-7,10-13,18-19H,3,8-9,14-17H2,1-2H3/p+1