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

Systemtic Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-propyl-pyrazol-3-amine Openeye Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-propyl-pyrazol-3-amine CAS Name: N-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-propyl-3-pyrazolamine IUPAC Name: N-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-propylpyrazol-3-amine Traditional Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-(1-propylpyrazol-3-yl)amine Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

CCCN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C19H28N4O/c1-3-9-23-12-8-19(21-23)20-14-16-6-7-18(24-2)17(13-16)15-22-10-4-5-11-22/h6-8,12-13H,3-5,9-11,14-15H2,1-2H3,(H,20,21)/p+1