N,N-diethyl-4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(4-phenylphenyl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-(4-phenylbenzyl)piperazin-4-ium-1-sulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S/c1-3-23(4-2)27(25,26)24-16-14-22(15-17-24)18-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3/p+1