[3-[1-(2,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [3-[1-(2,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-[[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]oxy]phenyl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-[[1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-[[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]oxy]benzyl]-methyl-(3-thenyl)ammonium Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+](C)CC4=CSC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+](C)CC4=CSC=C4)C

InChI

InChI=1S/C24H30N4O2S/c1-18-13-23(27(3)25-18)24(29)28-10-7-21(8-11-28)30-22-6-4-5-19(14-22)15-26(2)16-20-9-12-31-17-20/h4-6,9,12-14,17,21H,7-8,10-11,15-16H2,1-3H3/p+1