[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-(benzofurazan-5-ylmethyl)piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O2/c27-23(20-9-3-6-17-5-1-2-8-19(17)20)18-7-4-12-26(15-18)14-16-10-11-21-22(13-16)25-28-24-21/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2/p+1/t18-/m0/s1