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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CN1C=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

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