[(2S)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-2-hydroxy-2-(4-isobutoxy-3-methoxy-phenyl)propyl]-isobutyl-ammonium CAS Name: [(2S)-2-hydroxy-2-[3-methoxy-4-(2-methylpropoxy)phenyl]propyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-hydroxy-2-[3-methoxy-4-(2-methylpropoxy)phenyl]propyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-2-(4-isobutoxy-3-methoxy-phenyl)propyl]-isobutyl-ammonium Formula: C18H32NO3+ MolecularWeight: 310.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(C)(C1=CC(=C(C=C1)OCC(C)C)OC)O

Isomeric SMILES

CC(C)C[NH2+]C[C@](C)(C1=CC(=C(C=C1)OCC(C)C)OC)O

InChI

InChI=1S/C18H31NO3/c1-13(2)10-19-12-18(5,20)15-7-8-16(17(9-15)21-6)22-11-14(3)4/h7-9,13-14,19-20H,10-12H2,1-6H3/p+1/t18-/m1/s1