3-[(3-methoxyphenyl)-(2-thiophen-2-ylethanoyl)amino]propylazanium

Systemtic Name: 3-[(3-methoxyphenyl)-(2-thiophen-2-ylethanoyl)amino]propylazanium Openeye Name: 3-(3-methoxy-N-[2-(2-thienyl)acetyl]anilino)propylammonium CAS Name: 3-(3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)anilino)propylammonium IUPAC Name: 3-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)propylazanium Traditional Name: 3-(3-methoxy-N-[2-(2-thienyl)acetyl]anilino)propylammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCC[NH3+])C(=O)CC2=CC=CS2

Isomeric SMILES

COC1=CC=CC(=C1)N(CCC[NH3+])C(=O)CC2=CC=CS2

InChI

InChI=1S/C16H20N2O2S/c1-20-14-6-2-5-13(11-14)18(9-4-8-17)16(19)12-15-7-3-10-21-15/h2-3,5-7,10-11H,4,8-9,12,17H2,1H3/p+1