(3R)-3-[4-(3-hexoxyphenoxy)butylcarbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[4-(3-hexoxyphenoxy)butylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[4-(3-hexoxyphenoxy)butylcarbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[[4-(3-hexoxyphenoxy)butylamino]-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[4-(3-hexoxyphenoxy)butylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[4-(3-hexoxyphenoxy)butylcarbamoylamino]-4-(trimethylammonio)butyrate Formula: C24H41N3O5 MolecularWeight: 451.59944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC1=CC(=CC=C1)OCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1