2-methylsulfanylethyl-[1-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-methylsulfanylethyl-[1-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]phenyl]piperidin-4-yl]azanium Openeye Name: [1-[4-[2-(benzylamino)-2-oxo-ethyl]phenyl]-4-piperidyl]-(2-methylsulfanylethyl)ammonium CAS Name: 2-(methylthio)ethyl-[1-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: [1-[4-[2-(benzylamino)-2-oxoethyl]phenyl]piperidin-4-yl]-(2-methylsulfanylethyl)azanium Traditional Name: [1-[4-[2-(benzylamino)-2-keto-ethyl]phenyl]-4-piperidyl]-[2-(methylthio)ethyl]ammonium Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CSCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSCC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-28-16-13-24-21-11-14-26(15-12-21)22-9-7-19(8-10-22)17-23(27)25-18-20-5-3-2-4-6-20/h2-10,21,24H,11-18H2,1H3,(H,25,27)/p+1