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

Systemtic Name: 9-[5-azanyl-8-(3-azanyl-2-oxidanylidene-propanoyl)-2,7,7-trimethyl-4-oxidanyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxidanylidene-nonanamide Openeye Name: 9-[5-amino-8-(3-amino-2-oxo-propanoyl)-4-hydroxy-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-8-(3-amino-1,2-dioxopropyl)-4-hydroxy-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide IUPAC Name: 9-[5-amino-8-(3-amino-2-oxopropanoyl)-4-hydroxy-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide Traditional Name: 9-[5-amino-8-(3-amino-2-keto-propanoyl)-4-hydroxy-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-keto-pelargonamide Formula: C27H45N4O6+ MolecularWeight: 521.6694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2C(=O)C(=O)CN)(C)C)N)C)O

Isomeric SMILES

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2C(=O)C(=O)CN)(C)C)N)C)O

InChI

InChI=1S/C27H44N4O6/c1-5-6-14-30-21(33)12-10-8-7-9-11-13-22(34)31(36)17-18(2)37-26-23(25(35)20(32)16-28)27(3,4)15-19(29)24(26)31/h15,18,23,36H,5-14,16-17,28-29H2,1-4H3/p+1