(1R)-1-phenyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: (1R)-1-phenyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanol Openeye Name: (1R)-1-phenyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethanol CAS Name: (1R)-1-phenyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: (1R)-1-phenyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanol Traditional Name: (1R)-1-phenyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethanol Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C22H28N2O3S/c25-22(19-7-2-1-3-8-19)17-23-12-14-24(15-13-23)28(26,27)21-11-10-18-6-4-5-9-20(18)16-21/h1-3,7-8,10-11,16,22,25H,4-6,9,12-15,17H2/p+1/t22-/m0/s1