5-(azepan-1-ium-1-ylmethyl)-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one CAS Name: 5-(1-azepan-1-iumylmethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one Formula: C13H22NO4+ MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C[NH+]2CCCCCC2)O)C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C[NH+]2CCCCCC2)O)C

InChI

InChI=1S/C13H21NO4/c1-13(2)17-11(15)10(12(16)18-13)9-14-7-5-3-4-6-8-14/h15H,3-9H2,1-2H3/p+1