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2-(3,4-dimethoxyphenyl)ethyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium

2-(3,4-dimethoxyphenyl)ethyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-(4-pyridylmethyl)-(3-thienylmethyl)ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-(pyridin-4-ylmethyl)-(3-thiophenylmethyl)ammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-(pyridin-4-ylmethyl)-(thiophen-3-ylmethyl)azanium
Traditional Name:homoveratryl-(4-pyridylmethyl)-(3-thenyl)ammonium
Formula: C21H25N2O2S+
MolecularWeight: 369.5004
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CSC=C3)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CSC=C3)OC


InChI

InChI=1S/C21H24N2O2S/c1-24-20-4-3-17(13-21(20)25-2)7-11-23(15-19-8-12-26-16-19)14-18-5-9-22-10-6-18/h3-6,8-10,12-13,16H,7,11,14-15H2,1-2H3/p+1


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