N-propan-2-yl-2-[4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-(1-tetralin-6-ylsulfonylisonipecotoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H39N4O4S+ MolecularWeight: 491.66656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C25H38N4O4S/c1-19(2)26-24(30)18-27-13-15-28(16-14-27)25(31)21-9-11-29(12-10-21)34(32,33)23-8-7-20-5-3-4-6-22(20)17-23/h7-8,17,19,21H,3-6,9-16,18H2,1-2H3,(H,26,30)/p+1