5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloranyl-2-(2-hydroxyethyl)pyridazin-3-one

Systemtic Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloranyl-2-(2-hydroxyethyl)pyridazin-3-one Openeye Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one CAS Name: 5-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-4-chloro-2-(2-hydroxyethyl)-3-pyridazinone IUPAC Name: 5-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one Traditional Name: 5-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one Formula: C17H23ClN5O2+ MolecularWeight: 364.84982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=C(C(=O)N(N=C3)CCO)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=C(C(=O)N(N=C3)CCO)Cl

InChI

InChI=1S/C17H22ClN5O2/c18-16-15(11-20-23(9-10-24)17(16)25)22-7-5-21(6-8-22)12-13-1-3-14(19)4-2-13/h1-4,11,24H,5-10,12,19H2/p+1