2,1,3-benzothiadiazol-5-ylmethyl-methyl-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[1-[4-(2-morpholinoethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[1-[4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-methyl-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: methyl-[1-[4-(2-morpholinoethylcarbamoyl)phenyl]-4-piperidyl]-(piazthiol-5-ylmethyl)ammonium Formula: C26H35N6O2S+ MolecularWeight: 495.6601

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=NSN=C2C=C1)C3CCN(CC3)C4=CC=C(C=C4)C(=O)NCCN5CCOCC5

Isomeric SMILES

C[NH+](CC1=CC2=NSN=C2C=C1)C3CCN(CC3)C4=CC=C(C=C4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C26H34N6O2S/c1-30(19-20-2-7-24-25(18-20)29-35-28-24)22-8-11-32(12-9-22)23-5-3-21(4-6-23)26(33)27-10-13-31-14-16-34-17-15-31/h2-7,18,22H,8-17,19H2,1H3,(H,27,33)/p+1