pyridin-2-ylmethyl-(quinolin-8-ylmethyl)-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium

Systemtic Name: pyridin-2-ylmethyl-(quinolin-8-ylmethyl)-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium Openeye Name: 2-pyridylmethyl-(8-quinolylmethyl)-[2-(thiophene-2-carbonylamino)ethyl]ammonium CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]ethyl-(2-pyridinylmethyl)-(8-quinolinylmethyl)ammonium IUPAC Name: pyridin-2-ylmethyl-(quinolin-8-ylmethyl)-[2-(thiophene-2-carbonylamino)ethyl]azanium Traditional Name: 2-pyridylmethyl-(8-quinolylmethyl)-[2-(2-thenoylamino)ethyl]ammonium Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[NH+](CCNC(=O)C2=CC=CS2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)C[NH+](CCNC(=O)C2=CC=CS2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H22N4OS/c28-23(21-10-5-15-29-21)26-13-14-27(17-20-9-1-2-11-24-20)16-19-7-3-6-18-8-4-12-25-22(18)19/h1-12,15H,13-14,16-17H2,(H,26,28)/p+1