4-(4-phenethyl-1H-pyrazol-5-yl)-1-(thiophen-3-ylmethyl)piperidin-1-ium

Systemtic Name: 4-(4-phenethyl-1H-pyrazol-5-yl)-1-(thiophen-3-ylmethyl)piperidin-1-ium Openeye Name: 4-(4-phenethyl-1H-pyrazol-5-yl)-1-(3-thienylmethyl)piperidin-1-ium CAS Name: 4-(4-phenethyl-1H-pyrazol-5-yl)-1-(3-thiophenylmethyl)piperidin-1-ium IUPAC Name: 4-(4-phenethyl-1H-pyrazol-5-yl)-1-(thiophen-3-ylmethyl)piperidin-1-ium Traditional Name: 4-(4-phenethyl-1H-pyrazol-5-yl)-1-(3-thenyl)piperidin-1-ium Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C21H25N3S/c1-2-4-17(5-3-1)6-7-20-14-22-23-21(20)19-8-11-24(12-9-19)15-18-10-13-25-16-18/h1-5,10,13-14,16,19H,6-9,11-12,15H2,(H,22,23)/p+1