N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (5-phenyl-1H-pyrazol-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C16H23N4+ MolecularWeight: 271.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4/c1-2-6-14(7-3-1)16-15(13-18-19-16)12-17-8-11-20-9-4-5-10-20/h1-3,6-7,13,17H,4-5,8-12H2,(H,18,19)/p+1