ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O3S/c1-2-28-21(27)25-13-11-24(12-14-25)19(26)15-23-9-7-16(8-10-23)20-22-17-5-3-4-6-18(17)29-20/h3-6,16H,2,7-15H2,1H3/p+1