3-phenylpropyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: 3-phenylpropyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: 3-phenylpropyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]ethyl-(3-phenylpropyl)ammonium IUPAC Name: 3-phenylpropyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: 2-nicotinamidoethyl(3-phenylpropyl)ammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[NH2+]CCNC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC[NH2+]CCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H21N3O/c21-17(16-9-5-11-19-14-16)20-13-12-18-10-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,11,14,18H,4,8,10,12-13H2,(H,20,21)/p+1