[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium

Systemtic Name: [1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium Openeye Name: [1-[3-[(2-methoxybenzoyl)amino]phenyl]-4-piperidyl]-(2-methylsulfanylethyl)ammonium CAS Name: [1-[3-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]-[2-(methylthio)ethyl]ammonium IUPAC Name: [1-[3-[(2-methoxybenzoyl)amino]phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium Traditional Name: 2-(methylthio)ethyl-[1-[3-(o-anisoylamino)phenyl]-4-piperidyl]ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH2+]CCSC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH2+]CCSC

InChI

InChI=1S/C22H29N3O2S/c1-27-21-9-4-3-8-20(21)22(26)24-18-6-5-7-19(16-18)25-13-10-17(11-14-25)23-12-15-28-2/h3-9,16-17,23H,10-15H2,1-2H3,(H,24,26)/p+1