ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl-(phenylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl-(phenylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-benzyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]-(phenylmethyl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-benzylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-benzyl-amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H29N4O4S+ MolecularWeight: 445.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H28N4O4S/c1-4-30-21(29)20-16(2)23-22(31-20)26(14-18-8-6-5-7-9-18)19(28)15-24-10-12-25(13-11-24)17(3)27/h5-9H,4,10-15H2,1-3H3/p+1