3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H27N3O3/c24-19(22-11-5-1-2-6-12-22)16-9-13-21(14-10-16)15-23-17-7-3-4-8-18(17)26-20(23)25/h3-4,7-8,16H,1-2,5-6,9-15H2/p+1