[2-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[[[3-(3-hexoxyphenoxy)propylamino]-oxomethyl]amino]-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C23H40N3O5+ MolecularWeight: 438.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC=C1)OCCCNC(=O)NC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CCCCCCOC1=CC(=CC=C1)OCCCNC(=O)NC(CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C23H39N3O5/c1-5-6-7-8-14-30-20-11-9-12-21(17-20)31-15-10-13-24-23(29)25-19(16-22(27)28)18-26(2,3)4/h9,11-12,17,19H,5-8,10,13-16,18H2,1-4H3,(H2-,24,25,27,28,29)/p+1