2-(5-nitro-1H-indol-3-yl)ethyl-(2-oxidanylidenepropyl)azanium

Systemtic Name: 2-(5-nitro-1H-indol-3-yl)ethyl-(2-oxidanylidenepropyl)azanium Openeye Name: acetonyl-[2-(5-nitro-1H-indol-3-yl)ethyl]ammonium CAS Name: 2-(5-nitro-1H-indol-3-yl)ethyl-(2-oxopropyl)ammonium IUPAC Name: 2-(5-nitro-1H-indol-3-yl)ethyl-(2-oxopropyl)azanium Traditional Name: acetonyl-[2-(5-nitro-1H-indol-3-yl)ethyl]ammonium Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[NH2+]CCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C[NH2+]CCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9(17)7-14-5-4-10-8-15-13-3-2-11(16(18)19)6-12(10)13/h2-3,6,8,14-15H,4-5,7H2,1H3/p+1