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

Systemtic Name: (2S)-N-ethyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-ethyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-3-20-19(23)15(2)21-10-12-22(13-11-21)26(24,25)18-9-8-16-6-4-5-7-17(16)14-18/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1