bis(4-methylphenyl)-[4-[1-(4-phenylbutyl)piperidin-4-yl]carbonylphenyl]sulfanium

Systemtic Name: bis(4-methylphenyl)-[4-[1-(4-phenylbutyl)piperidin-4-yl]carbonylphenyl]sulfanium Openeye Name: [4-[1-(4-phenylbutyl)piperidine-4-carbonyl]phenyl]-bis(p-tolyl)sulfonium CAS Name: bis(4-methylphenyl)-[4-[oxo-[1-(4-phenylbutyl)-4-piperidinyl]methyl]phenyl]sulfonium IUPAC Name: bis(4-methylphenyl)-[4-[1-(4-phenylbutyl)piperidine-4-carbonyl]phenyl]sulfanium Traditional Name: [4-[1-(4-phenylbutyl)isonipecotoyl]phenyl]-bis(p-tolyl)sulfonium Formula: C36H40NOS+ MolecularWeight: 534.7739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C(=O)C4CCN(CC4)CCCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C(=O)C4CCN(CC4)CCCCC5=CC=CC=C5

InChI

InChI=1S/C36H40NOS/c1-28-11-17-33(18-12-28)39(34-19-13-29(2)14-20-34)35-21-15-31(16-22-35)36(38)32-23-26-37(27-24-32)25-7-6-10-30-8-4-3-5-9-30/h3-5,8-9,11-22,32H,6-7,10,23-27H2,1-2H3/q+1