2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[1-(1,3-benzoxazol-2-yl)isonipecotoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H33N5O3/c1-3-26(4-2)21(29)17-25-13-15-27(16-14-25)22(30)18-9-11-28(12-10-18)23-24-19-7-5-6-8-20(19)31-23/h5-8,18H,3-4,9-17H2,1-2H3/p+1