[(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-methylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-methylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(p-tolyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-methylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(p-tolyl)ethyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C15H25N3/c1-13-4-6-14(7-5-13)15(16)12-18-9-3-8-17(2)10-11-18/h4-7,15H,3,8-12,16H2,1-2H3/p+2/t15-/m1/s1