[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: [4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)CN4C=CC=N4

InChI

InChI=1S/C23H24N4OS/c1-28-23-8-7-19(13-21(23)17-27-11-4-10-25-27)15-26(18-22-6-3-12-29-22)16-20-5-2-9-24-14-20/h2-14H,15-18H2,1H3/p+1