N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: N-[[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-methoxy-3-(pyrrolidinomethyl)benzyl]-(2-methyl-1H-pyrazol-2-ium-3-yl)amine Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CN1)NCC2=CC(=C(C=C2)OC)CN3CCCC3

Isomeric SMILES

C[N+]1=C(C=CN1)NCC2=CC(=C(C=C2)OC)CN3CCCC3

InChI

InChI=1S/C17H24N4O/c1-20-17(7-8-19-20)18-12-14-5-6-16(22-2)15(11-14)13-21-9-3-4-10-21/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,18,19)/p+1