2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H26BrN4O2+ MolecularWeight: 410.32864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O2/c1-13-10-15(4-5-16(13)19)21-18(25)12-23-8-6-22(7-9-23)11-17(24)20-14-2-3-14/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,20,24)(H,21,25)/p+1