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

Systemtic Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethyl-pyrazol-3-amine Openeye Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethyl-pyrazol-3-amine CAS Name: N-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,5-dimethyl-3-pyrazolamine IUPAC Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethylpyrazol-3-amine Traditional Name: (1,5-dimethylpyrazol-3-yl)-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=NN1C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

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