2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H34N5OS+ MolecularWeight: 404.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H33N5OS/c1-16(2)25-8-5-18(6-9-25)26-11-10-24(15-19(26)7-12-27)14-17-3-4-20-21(13-17)23-28-22-20/h3-4,13,16,18-19,27H,5-12,14-15H2,1-2H3/p+1/t19-/m0/s1