[(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethyl]ammonium Formula: C14H25N3O2S+2 MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C14H23N3O2S/c1-12(15)13-4-6-14(7-5-13)20(18,19)17-9-3-8-16(2)10-11-17/h4-7,12H,3,8-11,15H2,1-2H3/p+2/t12-/m0/s1