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

Systemtic Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[1-(1,3-benzoxazol-2-yl)isonipecotoyl]piperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c1-2-22-19(27)15-24-11-13-25(14-12-24)20(28)16-7-9-26(10-8-16)21-23-17-5-3-4-6-18(17)29-21/h3-6,16H,2,7-15H2,1H3,(H,22,27)/p+1