(2S)-N,N-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N,N-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: (2S)-N,N-dimethyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-N,N-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: (2S)-N,N-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: (2S)-N,N-dimethyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@@H](C)C(=O)N(C)C

InChI

InChI=1S/C17H27N3O3S/c1-14-6-8-16(9-7-14)24(22,23)20-11-5-10-19(12-13-20)15(2)17(21)18(3)4/h6-9,15H,5,10-13H2,1-4H3/p+1/t15-/m0/s1