[(1S)-1-[5-[ethyl(2-pyridin-4-ylethyl)carbamoyl]furan-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-[ethyl(2-pyridin-4-ylethyl)carbamoyl]furan-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-2-furyl]ethyl]ammonium CAS Name: [(1S)-1-[5-[[ethyl(2-pyridin-4-ylethyl)amino]-oxomethyl]-2-furanyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-[ethyl(2-pyridin-4-ylethyl)carbamoyl]furan-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5-[ethyl-[2-(4-pyridyl)ethyl]carbamoyl]-2-furyl]ethyl]ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=NC=C1)C(=O)C2=CC=C(O2)C(C)[NH3+]

Isomeric SMILES

CCN(CCC1=CC=NC=C1)C(=O)C2=CC=C(O2)[C@H](C)[NH3+]

InChI

InChI=1S/C16H21N3O2/c1-3-19(11-8-13-6-9-18-10-7-13)16(20)15-5-4-14(21-15)12(2)17/h4-7,9-10,12H,3,8,11,17H2,1-2H3/p+1/t12-/m0/s1