[4-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [4-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [4-[[1-(2-ethylbutanoyl)-4-piperidyl]oxy]phenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [4-[[1-(2-ethyl-1-oxobutyl)-4-piperidinyl]oxy]phenyl]methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [4-[[1-(2-ethylbutanoyl)-4-piperidyl]oxy]benzyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=C(C=C2)C[NH+](C)CC3=CN(N=C3)C

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=C(C=C2)C[NH+](C)CC3=CN(N=C3)C

InChI

InChI=1S/C24H36N4O2/c1-5-21(6-2)24(29)28-13-11-23(12-14-28)30-22-9-7-19(8-10-22)16-26(3)17-20-15-25-27(4)18-20/h7-10,15,18,21,23H,5-6,11-14,16-17H2,1-4H3/p+1