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

Systemtic Name: phenethyl-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]azanium Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-phenethyl-ammonium CAS Name: phenethyl-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl-phenethylazanium Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-phenethyl-ammonium Formula: C23H24N3S+ MolecularWeight: 374.52176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3S/c1-3-8-19(9-4-1)13-14-24-16-21-18-26(17-20-10-5-2-6-11-20)25-23(21)22-12-7-15-27-22/h1-12,15,18,24H,13-14,16-17H2/p+1