(3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(2S)-2-phenylpropyl]azanium

Systemtic Name: (3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(2S)-2-phenylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-[(2S)-2-phenylpropyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]-[(2S)-2-phenylpropyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-phenylpropyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-[(2S)-2-phenylpropyl]ammonium Formula: C18H26NOS+ MolecularWeight: 304.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NOS/c1-14-9-10-21-18(14)13-19(12-16(3)20)11-15(2)17-7-5-4-6-8-17/h4-10,15-16,20H,11-13H2,1-3H3/p+1/t15-,16+/m1/s1