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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CCCN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O/c1-3-10-24-13-9-20(22-24)21-15-17-7-8-19(25-2)18(14-17)16-23-11-5-4-6-12-23/h7-9,13-14H,3-6,10-12,15-16H2,1-2H3,(H,21,22)/p+1