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

Systemtic Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (1-ethyl-3-methyl-4-pyrazolyl)methyl-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (1-ethyl-3-methylpyrazol-4-yl)methyl-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C21H34N4O+2 MolecularWeight: 358.52086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-4-25-16-20(17(2)23-25)14-22-13-18-8-9-21(26-3)19(12-18)15-24-10-6-5-7-11-24/h8-9,12,16,22H,4-7,10-11,13-15H2,1-3H3/p+2