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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium Formula: C25H31N4O2S+ MolecularWeight: 451.60424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H30N4O2S/c30-21-4-3-13-29(17-21)25(31)18-7-9-20(10-8-18)28-14-11-19(12-15-28)26-16-24-27-22-5-1-2-6-23(22)32-24/h1-2,5-10,19,21,26,30H,3-4,11-17H2/p+1/t21-/m0/s1