[(1S)-1-(3,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-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=C(C=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+])C

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-13-5-6-15(11-14(13)2)16(17)12-19-8-4-7-18(3)9-10-19/h5-6,11,16H,4,7-10,12,17H2,1-3H3/p+2/t16-/m1/s1