[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[(2R)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-1-tosyl-2-piperidyl]methanone Formula: C30H36N3O3S+ MolecularWeight: 518.69014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O3S/c1-24-15-17-27(18-16-24)37(35,36)33-19-9-8-14-28(33)30(34)32-22-20-31(21-23-32)29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,15-18,28-29H,8-9,14,19-23H2,1H3/p+1/t28-/m1/s1