[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CCC[NH+](C2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H30N4O2/c27-21(24-11-3-4-12-24)17-6-5-13-26(16-17)18-9-14-25(15-10-18)22-23-19-7-1-2-8-20(19)28-22/h1-2,7-8,17-18H,3-6,9-16H2/p+1/t17-/m1/s1