N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-thiophen-2-yl-ethanamine

Systemtic Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-thiophen-2-yl-ethanamine Openeye Name: N-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl]-2-(2-thienyl)ethanamine CAS Name: N-[(4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl)methyl]-2-thiophen-2-ylethanamine IUPAC Name: N-[(4-methoxy-3,5-dimethylpyridin-1-ium-2-yl)methyl]-2-thiophen-2-ylethanamine Traditional Name: (4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl)methyl-[2-(2-thienyl)ethyl]amine Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C(=C1OC)C)CNCCC2=CC=CS2

Isomeric SMILES

CC1=C[NH+]=C(C(=C1OC)C)CNCCC2=CC=CS2

InChI

InChI=1S/C15H20N2OS/c1-11-9-17-14(12(2)15(11)18-3)10-16-7-6-13-5-4-8-19-13/h4-5,8-9,16H,6-7,10H2,1-3H3/p+1