N-cyclopropyl-2-[4-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26IN4O2+ MolecularWeight: 457.32911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H25IN4O2/c1-13-10-14(19)2-5-16(13)21-18(25)12-23-8-6-22(7-9-23)11-17(24)20-15-3-4-15/h2,5,10,15H,3-4,6-9,11-12H2,1H3,(H,20,24)(H,21,25)/p+1