9-[5-azanyl-8-(2-methoxyethyl)-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-(2-methoxyethyl)-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-4-hydroxy-8-(2-methoxyethyl)-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-8-(2-methoxyethyl)-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide IUPAC Name: 9-[5-amino-4-hydroxy-8-(2-methoxyethyl)-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-oxononanamide Traditional Name: 9-[5-amino-4-hydroxy-8-(2-methoxyethyl)-2,7,7-trimethyl-3,8-dihydro-2H-1,4-benzoxazin-4-ium-4-yl]-N-butyl-9-keto-pelargonamide Formula: C27H48N3O5+ MolecularWeight: 494.68712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2CCOC)(C)C)N)C)O

Isomeric SMILES

CCCCNC(=O)CCCCCCCC(=O)[N+]1(CC(OC2=C1C(=CC(C2CCOC)(C)C)N)C)O

InChI

InChI=1S/C27H47N3O5/c1-6-7-16-29-23(31)13-11-9-8-10-12-14-24(32)30(33)19-20(2)35-26-21(15-17-34-5)27(3,4)18-22(28)25(26)30/h18,20-21,33H,6-17,19,28H2,1-5H3/p+1