[(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C17H32N2O2+2 MolecularWeight: 296.44818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O2/c1-6-7-10-19(4)15(12-18)14-8-9-16(21-13(2)3)17(11-14)20-5/h8-9,11,13,15H,6-7,10,12,18H2,1-5H3/p+2/t15-/m1/s1