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

Systemtic Name: [(2R)-2-(2,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(2,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(2,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(2R)-2-(2,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(2,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-13-5-6-15(14(2)11-13)16(12-17)19-8-4-7-18(3)9-10-19/h5-6,11,16H,4,7-10,12,17H2,1-3H3/p+2/t16-/m0/s1