2-[4-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C15H25ClN4O+2 MolecularWeight: 312.8382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC[NH3+]

InChI

InChI=1S/C15H23ClN4O/c1-12-2-3-13(16)10-14(12)18-15(21)11-20-8-6-19(5-4-17)7-9-20/h2-3,10H,4-9,11,17H2,1H3,(H,18,21)/p+2