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

Systemtic Name: [(2S)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium Formula: C10H25N3+2 MolecularWeight: 187.3256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC[NH+](CC1)C)[NH3+]

Isomeric SMILES

C[C@@H](CCN1CCC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C10H23N3/c1-10(11)4-7-13-6-3-5-12(2)8-9-13/h10H,3-9,11H2,1-2H3/p+2/t10-/m0/s1