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

Systemtic Name: (4-chlorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]-(3-oxidanylpropyl)azanium Openeye Name: (4-chlorophenyl)methyl-(3-hydroxypropyl)-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (4-chlorophenyl)methyl-(3-hydroxypropyl)-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-(3-hydroxypropyl)-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (4-chlorobenzyl)-(3-hydroxypropyl)-[(3-methyl-2-thienyl)methyl]ammonium Formula: C16H21ClNOS+ MolecularWeight: 310.86204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CCCO)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CCCO)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClNOS/c1-13-7-10-20-16(13)12-18(8-2-9-19)11-14-3-5-15(17)6-4-14/h3-7,10,19H,2,8-9,11-12H2,1H3/p+1