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

Systemtic Name: [3-[1-(2,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-[[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]oxy]phenyl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [3-[[1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxyphenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-[[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]oxy]benzyl]-methyl-(2-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=CC=CS4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+](C)CC4=CC=CS4)C

InChI

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