[(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-[(5-acetyl-3-thienyl)methyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(5-acetyl-3-thienyl)methyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=CSC(=C3)C(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=CSC(=C3)C(=O)C

InChI

InChI=1S/C20H27N3OS/c1-3-23(13-17-6-8-21-9-7-17)19-5-4-10-22(14-19)12-18-11-20(16(2)24)25-15-18/h6-9,11,15,19H,3-5,10,12-14H2,1-2H3/p+1/t19-/m0/s1