N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide CAS Name: N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2=CC=CC=C2CC1CN(C)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC2=CC=CC=C2C[C@H]1CN(C)C(=O)C3=NNC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-26-14-18-9-7-6-8-17(18)12-20(26)15-27(2)23(28)22-13-19(24-25-22)16-29-21-10-4-3-5-11-21/h3-11,13,20H,12,14-16H2,1-2H3,(H,24,25)/p+1/t20-/m0/s1