(E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C30H34N3O4S+ MolecularWeight: 532.67366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C30H33N3O4S/c34-29(16-13-25-11-14-28(15-12-25)38(35,36)33-21-23-37-24-22-33)31-17-19-32(20-18-31)30(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-16,30H,17-24H2/p+1/b16-13+