1-[2-(cyclohexen-1-yl)ethyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN=CC2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3

Isomeric SMILES

C1CC[NH+](CC1)CCN=CC2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3

InChI

InChI=1S/C20H30N4O2S/c25-18-17(15-21-10-14-23-11-5-2-6-12-23)19(26)24(20(27)22-18)13-9-16-7-3-1-4-8-16/h7,15,17H,1-6,8-14H2,(H,22,25,27)/p+1