[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-mesyl-2-methyl-phenyl)methanone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-20-13-14-23(32(2,30)31)19-24(20)26(29)28-17-15-27(16-18-28)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25H,15-18H2,1-2H3/p+1