[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholinosulfonyl-phenyl)methanone Formula: C29H34N3O4S+ MolecularWeight: 520.66296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C29H33N3O4S/c1-23-12-13-26(22-27(23)37(34,35)32-18-20-36-21-19-32)29(33)31-16-14-30(15-17-31)28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-13,22,28H,14-21H2,1H3/p+1