(2-azanyl-2-oxidanylidene-ethyl)-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[2-(3-iodo-4-methylanilino)-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[2-(3-iodo-4-methylanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]-isopropyl-ammonium Formula: C14H21IN3O2+ MolecularWeight: 390.23991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC(=O)N)C(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](CC(=O)N)C(C)C)I

InChI

InChI=1S/C14H20IN3O2/c1-9(2)18(7-13(16)19)8-14(20)17-11-5-4-10(3)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20)/p+1