1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine

Systemtic Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine Openeye Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine CAS Name: 1-ethyl-N-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-methyl-3-pyrazolamine IUPAC Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methylpyrazol-3-amine Traditional Name: (1-ethyl-5-methyl-pyrazol-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

Isomeric SMILES

CCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H30N4O/c1-4-24-16(2)12-20(22-24)21-14-17-8-9-19(25-3)18(13-17)15-23-10-6-5-7-11-23/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3,(H,21,22)/p+1