[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: (1-isopropylpyrazol-4-yl)methyl-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-methyl-ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: (1-isopropylpyrazol-4-yl)methyl-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-methyl-ammonium Formula: C23H38N4O+2 MolecularWeight: 386.57402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](C)CC2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](C)CC2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H36N4O/c1-19(2)27-18-22(15-24-27)17-25(3)16-21-10-13-26(14-11-21)12-9-20-5-7-23(28-4)8-6-20/h5-8,15,18-19,21H,9-14,16-17H2,1-4H3/p+2