5-azanyl-N-butan-2-yl-4-[9-(butylamino)-9-oxidanylidene-nonanoyl]-2,7,7-trimethyl-4-oxidanyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide

Systemtic Name: 5-azanyl-N-butan-2-yl-4-[9-(butylamino)-9-oxidanylidene-nonanoyl]-2,7,7-trimethyl-4-oxidanyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide Openeye Name: 5-amino-4-[9-(butylamino)-9-oxo-nonanoyl]-4-hydroxy-2,7,7-trimethyl-N-sec-butyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide CAS Name: 5-amino-N-butan-2-yl-4-[9-(butylamino)-1,9-dioxononyl]-4-hydroxy-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide IUPAC Name: 5-amino-N-butan-2-yl-4-[9-(butylamino)-9-oxononanoyl]-4-hydroxy-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide Traditional Name: 5-amino-4-[9-(butylamino)-9-keto-nonanoyl]-4-hydroxy-2,7,7-trimethyl-N-sec-butyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-8-carboxamide Formula: C29H51N4O5+ MolecularWeight: 535.73904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50N4O5/c1-7-9-17-31-23(34)15-13-11-10-12-14-16-24(35)33(37)19-21(4)38-27-25(28(36)32-20(3)8-2)29(5,6)18-22(30)26(27)33/h18,20-21,25,37H,7-17,19,30H2,1-6H3,(H-,31,32,34,36)/p+1