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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H23N3/c1-16-8-5-9-17(11-10-16)12-14(15)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,15H2,1H3/p+2/t14-/m1/s1