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

Systemtic Name: 2-[4-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H26ClN4O2+ MolecularWeight: 365.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H25ClN4O2/c1-13-15(19)3-2-4-16(13)21-18(25)12-23-9-7-22(8-10-23)11-17(24)20-14-5-6-14/h2-4,14H,5-12H2,1H3,(H,20,24)(H,21,25)/p+1