(2R)-N-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-methyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-methyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-14(18(22)19-2)20-9-11-21(12-10-20)25(23,24)17-8-7-15-5-3-4-6-16(15)13-17/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22)/p+1/t14-/m1/s1