[(2S)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-[methyl-[2-(4-pyridyl)ethyl]amino]-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-[methyl-[2-(4-pyridyl)ethyl]amino]-2-(4-nitrophenyl)ethyl]ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(C[NH3+])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC=NC=C1)[C@H](C[NH3+])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O2/c1-19(11-8-13-6-9-18-10-7-13)16(12-17)14-2-4-15(5-3-14)20(21)22/h2-7,9-10,16H,8,11-12,17H2,1H3/p+1/t16-/m1/s1