1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]imidazolidin-2-one

Systemtic Name: 1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]imidazolidin-2-one Openeye Name: 1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]imidazolidin-2-one CAS Name: 1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-1-oxopropyl]-2-imidazolidinone IUPAC Name: 1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]imidazolidin-2-one Traditional Name: 1-[(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoyl]-2-imidazolidinone Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@@H](C(=O)N1CCNC1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H22N4O3/c1-12(17(23)22-11-8-19-18(22)24)21-9-6-13(7-10-21)16-20-14-4-2-3-5-15(14)25-16/h2-5,12-13H,6-11H2,1H3,(H,19,24)/p+1/t12-/m0/s1