[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium Formula: C24H29N4OS+ MolecularWeight: 421.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H28N4OS/c29-24(27-18-19-3-1-12-25-17-19)20-5-7-22(8-6-20)28-14-10-21(11-15-28)26-13-9-23-4-2-16-30-23/h1-8,12,16-17,21,26H,9-11,13-15,18H2,(H,27,29)/p+1