3-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-(trimethylammonio)butanoate CAS Name: 3-[[[3-(3-hexoxyphenoxy)propylamino]-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[3-(3-hexoxyphenoxy)propylcarbamoylamino]-4-(trimethylammonio)butyrate Formula: C23H39N3O5 MolecularWeight: 437.57286

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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)