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

Systemtic Name: (3,4-dimethylphenyl)methyl-[(3-methylthiophen-2-yl)methyl]-(3-oxidanylpropyl)azanium Openeye Name: (3,4-dimethylphenyl)methyl-(3-hydroxypropyl)-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (3,4-dimethylphenyl)methyl-(3-hydroxypropyl)-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (3,4-dimethylphenyl)methyl-(3-hydroxypropyl)-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (3,4-dimethylbenzyl)-(3-hydroxypropyl)-[(3-methyl-2-thienyl)methyl]ammonium Formula: C18H26NOS+ MolecularWeight: 304.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+](CCCO)CC2=C(C=CS2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+](CCCO)CC2=C(C=CS2)C)C

InChI

InChI=1S/C18H25NOS/c1-14-5-6-17(11-16(14)3)12-19(8-4-9-20)13-18-15(2)7-10-21-18/h5-7,10-11,20H,4,8-9,12-13H2,1-3H3/p+1