3-azaniumylpropyl-ethyl-(phenylmethyl)azanium

Systemtic Name: 3-azaniumylpropyl-ethyl-(phenylmethyl)azanium Openeye Name: 3-azaniumylpropyl-benzyl-ethyl-ammonium CAS Name: 3-ammoniopropyl-ethyl-(phenylmethyl)ammonium IUPAC Name: 3-azaniumylpropyl-benzyl-ethylazanium Traditional Name: 3-ammoniopropyl-benzyl-ethyl-ammonium Formula: C12H22N2+2 MolecularWeight: 194.31648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2/c1-2-14(10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,13H2,1H3/p+2