1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H32N4OS/c1-17-15-21(2,3)22-20(27)25(17)10-9-19(26)24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3,(H,22,27)/p+1