(3,4-dimethoxyphenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-methyl-veratryl-ammonium Formula: C22H32NO4+ MolecularWeight: 374.49378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+](C)CC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+](C)CC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C22H31NO4/c1-16(2)19-8-6-7-9-20(19)27-15-18(24)14-23(3)13-17-10-11-21(25-4)22(12-17)26-5/h6-12,16,18,24H,13-15H2,1-5H3/p+1/t18-/m0/s1