1-butyl-N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine

Systemtic Name: 1-butyl-N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine Openeye Name: 1-butyl-N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine CAS Name: 1-butyl-N-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-methyl-3-pyrazolamine IUPAC Name: 1-butyl-N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methylpyrazol-3-amine Traditional Name: (1-butyl-5-methyl-pyrazol-3-yl)-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C21H33N4O+ MolecularWeight: 357.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3)C

Isomeric SMILES

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3)C

InChI

InChI=1S/C21H32N4O/c1-4-5-12-25-17(2)13-21(23-25)22-15-18-8-9-20(26-3)19(14-18)16-24-10-6-7-11-24/h8-9,13-14H,4-7,10-12,15-16H2,1-3H3,(H,22,23)/p+1