phenethyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: phenethyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: phenethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: phenethyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: phenethyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: phenethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C22H22N3S+ MolecularWeight: 360.49518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3S/c1-3-8-18(9-4-1)13-14-23-16-19-17-25(20-10-5-2-6-11-20)24-22(19)21-12-7-15-26-21/h1-12,15,17,23H,13-14,16H2/p+1