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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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