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

Systemtic Name: [(1S)-1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]ethyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1N2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C14H23N3/c1-12(15)13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,12H,5,8-11,15H2,1-2H3/p+2/t12-/m0/s1