[(3S)-3-azaniumyl-3-phenyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(3S)-3-azaniumyl-3-phenyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(3S)-3-azaniumyl-3-phenyl-propyl]-isopropyl-methyl-ammonium CAS Name: [(3S)-3-ammonio-3-phenylpropyl]-methyl-propan-2-ylammonium IUPAC Name: [(3S)-3-azaniumyl-3-phenylpropyl]-methyl-propan-2-ylazanium Traditional Name: [(3S)-3-ammonio-3-phenyl-propyl]-isopropyl-methyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CCC(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2/c1-11(2)15(3)10-9-13(14)12-7-5-4-6-8-12/h4-8,11,13H,9-10,14H2,1-3H3/p+2/t13-/m0/s1