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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[3-(1-piperidin-1-iumyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(3-piperidin-1-ium-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c26-19-18(16-22-11-7-14-24-12-5-2-6-13-24)20(27)25(21(28)23-19)15-10-17-8-3-1-4-9-17/h8,16,18H,1-7,9-15H2,(H,23,26,28)/p+1