2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C28H36N3O3+ MolecularWeight: 462.60374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3C(COC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)N3[C@@H](COC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H35N3O3/c32-27(20-29-18-14-23(15-19-29)28(33)30-16-8-1-2-9-17-30)31-24-12-6-7-13-26(24)34-21-25(31)22-10-4-3-5-11-22/h3-7,10-13,23,25H,1-2,8-9,14-21H2/p+1/t25-/m0/s1