N-pentan-3-yl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-pentan-3-yl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-ethylpropyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-pentan-3-yl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-pentan-3-yl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-ethylpropyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-3-19(4-2)22-21(25)16-23-11-13-24(14-12-23)28(26,27)20-10-9-17-7-5-6-8-18(17)15-20/h9-10,15,19H,3-8,11-14,16H2,1-2H3,(H,22,25)/p+1