1-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]oxyethanol

Systemtic Name: 1-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]oxyethanol Openeye Name: 1-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]oxyethanol CAS Name: 1-[[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-1-piperidin-1-iumyl]oxy]ethanol IUPAC Name: 1-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]oxyethanol Traditional Name: 1-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-1-ium-1-yl]oxyethanol Formula: C23H28ClN4O3+ MolecularWeight: 443.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O[N+]1(CCCCC1)C2=NN=C(C3=CC=CC=C32)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(O)O[N+]1(CCCCC1)C2=NN=C(C3=CC=CC=C32)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H28ClN4O3/c1-16(29)31-28(12-6-3-7-13-28)23-19-9-5-4-8-18(19)22(26-27-23)25-15-17-10-11-21(30-2)20(24)14-17/h4-5,8-11,14,16,29H,3,6-7,12-13,15H2,1-2H3,(H,25,26)/q+1