morpholin-4-yl-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: morpholin-4-yl-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-morpholino-methanone CAS Name: 4-morpholinyl-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: morpholin-4-yl-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-morpholino-methanone Formula: C21H29N6O2S+ MolecularWeight: 429.55896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2S/c1-2-8-26-19(18-6-4-3-5-7-18)22-27(21(26)30)17-23-9-11-24(12-10-23)20(28)25-13-15-29-16-14-25/h2-7H,1,8-17H2/p+1