[(1R)-2-azaniumyl-1-(3-pentoxyphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3-pentoxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1R)-2-azaniumyl-1-(3-pentoxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1R)-2-ammonio-1-(3-pentoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3-pentoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1R)-2-ammonio-1-(3-amoxyphenyl)ethyl]-butyl-methyl-ammonium Formula: C18H34N2O+2 MolecularWeight: 294.47536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(C[NH3+])[NH+](C)CCCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+](C)CCCC

InChI

InChI=1S/C18H32N2O/c1-4-6-8-13-21-17-11-9-10-16(14-17)18(15-19)20(3)12-7-5-2/h9-11,14,18H,4-8,12-13,15,19H2,1-3H3/p+2/t18-/m0/s1