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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C[NH3+])N2CCC[NH+](CC2)C

InChI

InChI=1S/C15H25N3/c1-13-6-3-4-7-14(13)15(12-16)18-9-5-8-17(2)10-11-18/h3-4,6-7,15H,5,8-12,16H2,1-2H3/p+2/t15-/m0/s1