N-[[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: N-[[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: N-[[4-methoxy-3-(1-piperidylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: N-[[4-methoxy-3-(1-piperidinylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: N-[[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-methoxy-3-(piperidinomethyl)benzyl]-(2-methyl-1H-pyrazol-2-ium-3-yl)amine Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CN1)NCC2=CC(=C(C=C2)OC)CN3CCCCC3

Isomeric SMILES

C[N+]1=C(C=CN1)NCC2=CC(=C(C=C2)OC)CN3CCCCC3

InChI

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