[(1R)-2-azaniumyl-1-(5-chloranyl-2-pentoxy-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(5-chloranyl-2-pentoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1R)-2-azaniumyl-1-(5-chloro-2-pentoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1R)-2-ammonio-1-(5-chloro-2-pentoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1R)-2-azaniumyl-1-(5-chloro-2-pentoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1R)-2-ammonio-1-(2-amoxy-5-chloro-phenyl)ethyl]-butyl-methyl-ammonium Formula: C18H33ClN2O+2 MolecularWeight: 328.92042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN2O/c1-4-6-8-12-22-18-10-9-15(19)13-16(18)17(14-20)21(3)11-7-5-2/h9-10,13,17H,4-8,11-12,14,20H2,1-3H3/p+2/t17-/m0/s1