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

Systemtic Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-(2-thienylmethyl)ammonium CAS Name: [1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]-(2-thenyl)ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=CS2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-23(26-16-18-3-1-11-24-15-18)19-5-7-21(8-6-19)27-12-9-20(10-13-27)25-17-22-4-2-14-29-22/h1-8,11,14-15,20,25H,9-10,12-13,16-17H2,(H,26,28)/p+1