(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: (1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-16(2)24-12-7-11-21-14-17-15-23(18-8-4-3-5-9-18)22-20(17)19-10-6-13-25-19/h3-6,8-10,13,15-16,21H,7,11-12,14H2,1-2H3/p+1