2,1,3-benzothiadiazol-5-ylmethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-(piazthiol-5-ylmethyl)ammonium Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=NSN=C5C=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=NSN=C5C=C4)O

InChI

InChI=1S/C24H29N5O2S/c30-21-2-1-11-29(16-21)24(31)18-4-6-20(7-5-18)28-12-9-19(10-13-28)25-15-17-3-8-22-23(14-17)27-32-26-22/h3-8,14,19,21,25,30H,1-2,9-13,15-16H2/p+1/t21-/m0/s1