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

Systemtic Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-pyrazol-4-amine Openeye Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-pyrazol-4-amine CAS Name: N-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,3-dimethyl-4-pyrazolamine IUPAC Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethylpyrazol-4-amine Traditional Name: (1,3-dimethylpyrazol-4-yl)-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=NN(C=C1NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3)C

InChI

InChI=1S/C18H26N4O/c1-14-17(13-21(2)20-14)19-11-15-6-7-18(23-3)16(10-15)12-22-8-4-5-9-22/h6-7,10,13,19H,4-5,8-9,11-12H2,1-3H3/p+1