3-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(4-chloroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(4-chloroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-(4-chloroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C15H25ClN4O+2 MolecularWeight: 312.8382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Cl)CCC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Cl)CCC[NH3+]

InChI

InChI=1S/C15H23ClN4O/c16-13-2-4-14(5-3-13)18-15(21)12-20-10-8-19(9-11-20)7-1-6-17/h2-5H,1,6-12,17H2,(H,18,21)/p+2