(1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

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