2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]propan-1-ol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]propan-1-ol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]propan-1-ol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-1-piperidin-1-iumyl]-1-propanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]propan-1-ol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-1-ium-1-yl]propan-1-ol Formula: C24H30ClN4O2+ MolecularWeight: 441.9736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN4O2/c1-17(16-30)29(12-6-3-7-13-29)24-20-9-5-4-8-19(20)23(27-28-24)26-15-18-10-11-22(31-2)21(25)14-18/h4-5,8-11,14,17,30H,3,6-7,12-13,15-16H2,1-2H3,(H,26,27)/q+1