2-[4-[[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[2-(3-phenylpropyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-19(2)27-24(31)18-29-13-15-30(16-14-29)26(32)21-11-12-23-22(17-21)28-25(33-23)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-12,17,19H,6,9-10,13-16,18H2,1-2H3,(H,27,31)/p+1