3-butoxypropyl-[[5-[4-[(1S)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[5-[4-[(1S)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]-2-furyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]-2-furanyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]-2-furyl]methyl]ammonium Formula: C20H30NO3+ MolecularWeight: 332.4571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(C)O

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)[C@H](C)O

InChI

InChI=1S/C20H29NO3/c1-3-4-13-23-14-5-12-21-15-19-10-11-20(24-19)18-8-6-17(7-9-18)16(2)22/h6-11,16,21-22H,3-5,12-15H2,1-2H3/p+1/t16-/m0/s1