(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (5-carbethoxy-1H-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C22H34N4O2+2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H32N4O2/c1-3-28-22(27)21-20(15-23-24-21)17-26(14-11-18-7-5-4-6-8-18)16-19-9-12-25(2)13-10-19/h4-8,15,19H,3,9-14,16-17H2,1-2H3,(H,23,24)/p+2