3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Formula: C20H27ClN3O3+ MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H26ClN3O3/c21-16-5-6-17-18(13-16)27-20(26)24(17)14-22-11-7-15(8-12-22)19(25)23-9-3-1-2-4-10-23/h5-6,13,15H,1-4,7-12,14H2/p+1