(3,4-dimethoxyphenyl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-veratryl-ammonium Formula: C18H26NO3S+ MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=CC(=C(C=C2)OC)OC)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=CC(=C(C=C2)OC)OC)C[C@H](C)O

InChI

InChI=1S/C18H25NO3S/c1-13-7-8-23-18(13)12-19(10-14(2)20)11-15-5-6-16(21-3)17(9-15)22-4/h5-9,14,20H,10-12H2,1-4H3/p+1/t14-/m0/s1