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

Systemtic Name: (2-ethylpyrazol-3-yl)methyl-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (2-ethylpyrazol-3-yl)methyl-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (2-ethyl-3-pyrazolyl)methyl-[[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (2-ethylpyrazol-3-yl)methyl-[[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (2-ethylpyrazol-3-yl)methyl-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C19H30N4O+2 MolecularWeight: 330.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

CCN1C(=CC=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C19H28N4O/c1-3-23-18(8-9-21-23)14-20-13-16-6-7-19(24-2)17(12-16)15-22-10-4-5-11-22/h6-9,12,20H,3-5,10-11,13-15H2,1-2H3/p+2