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

Systemtic Name: N-butyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-butyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-2-3-10-21-20(24)16-22-11-13-23(14-12-22)27(25,26)19-9-8-17-6-4-5-7-18(17)15-19/h8-9,15H,2-7,10-14,16H2,1H3,(H,21,24)/p+1