9-[5-azanyl-2,7,7-trimethyl-4-oxidanyl-8-(propan-2-yloxymethyl)-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxidanylidene-nonanamide

Systemtic Name: 9-[5-azanyl-2,7,7-trimethyl-4-oxidanyl-8-(propan-2-yloxymethyl)-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxidanylidene-nonanamide Openeye Name: 9-[5-amino-4-hydroxy-8-(isopropoxymethyl)-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxo-nonanamide CAS Name: 9-[5-amino-4-hydroxy-2,7,7-trimethyl-8-(propan-2-yloxymethyl)-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide IUPAC Name: 9-[5-amino-4-hydroxy-2,7,7-trimethyl-8-(propan-2-yloxymethyl)-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide Traditional Name: 9-[5-amino-4-hydroxy-8-(isopropoxymethyl)-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-keto-pelargonamide Formula: C28H50N3O5+ MolecularWeight: 508.7137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2COC(C)C)(C)C)N)C)O

Isomeric SMILES

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2COC(C)C)(C)C)N)C)O

InChI

InChI=1S/C28H49N3O5/c1-7-8-16-30-24(32)14-12-10-9-11-13-15-25(33)31(34)18-21(4)36-27-22(19-35-20(2)3)28(5,6)17-23(29)26(27)31/h17,20-22,34H,7-16,18-19,29H2,1-6H3/p+1