tert-butyl 2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetic acid tert-butyl ester Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)26-19(23)15-21-10-12-22(13-11-21)27(24,25)18-9-8-16-6-4-5-7-17(16)14-18/h8-9,14H,4-7,10-13,15H2,1-3H3/p+1