3-azaniumylpropyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-azaniumylpropyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: 3-azaniumylpropyl-benzyl-isopropyl-ammonium CAS Name: 3-ammoniopropyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: 3-azaniumylpropyl-benzyl-propan-2-ylazanium Traditional Name: 3-ammoniopropyl-benzyl-isopropyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC[NH3+])CC1=CC=CC=C1

Isomeric SMILES

CC(C)[NH+](CCC[NH3+])CC1=CC=CC=C1

InChI

InChI=1S/C13H22N2/c1-12(2)15(10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,14H2,1-2H3/p+2