dimethyl-[2-[3-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]propyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C22H35N5O+2 MolecularWeight: 385.5462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H33N5O/c1-25(2)17-13-23-22(28)9-6-19-10-15-26(16-11-19)18-20-4-7-21(8-5-20)27-14-3-12-24-27/h3-5,7-8,12,14,19H,6,9-11,13,15-18H2,1-2H3,(H,23,28)/p+2