N-[2-[2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethyl]-3-methyl-2-oxidanylidene-pentanamide iodide

Systemtic Name: N-[2-[2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethyl]-3-methyl-2-oxidanylidene-pentanamide iodide Openeye Name: N-[2-[2-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethyl]-3-methyl-2-oxo-pentanamide iodide CAS Name: N-[2-[2-[1-(2-amino-2-oxoethyl)-3-pyridin-1-iumyl]-1H-indol-3-yl]ethyl]-3-methyl-2-oxopentanamide iodide IUPAC Name: N-[2-[2-[1-(2-amino-2-oxoethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethyl]-3-methyl-2-oxopentanamide iodide Traditional Name: N-[2-[2-[1-(2-amino-2-keto-ethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethyl]-2-keto-3-methyl-valeramide iodide Formula: C23H27IN4O3 MolecularWeight: 534.38995

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)NCCC1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)CC(=O)N.[I-]

Isomeric SMILES

CCC(C)C(=O)C(=O)NCCC1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)CC(=O)N.[I-]

InChI

InChI=1S/C23H26N4O3.HI/c1-3-15(2)22(29)23(30)25-11-10-18-17-8-4-5-9-19(17)26-21(18)16-7-6-12-27(13-16)14-20(24)28;/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3,(H2-,24,25,28,30);1H