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

Systemtic Name: N-(2-methylpropyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-methylpropyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16(2)14-21-20(24)15-22-9-11-23(12-10-22)27(25,26)19-8-7-17-5-3-4-6-18(17)13-19/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H,21,24)/p+1