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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(piazthiol-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H30N5OS+ MolecularWeight: 376.5394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H29N5OS/c1-22-7-4-16(5-8-22)24-10-9-23(14-17(24)6-11-25)13-15-2-3-18-19(12-15)21-26-20-18/h2-3,12,16-17,25H,4-11,13-14H2,1H3/p+1/t17-/m0/s1