1-phenyl-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine

Systemtic Name: 1-phenyl-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine Openeye Name: 1-phenyl-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine CAS Name: 1-phenyl-4-[2-(1-piperidin-1-iumyl)ethoxy]phthalazine IUPAC Name: 1-phenyl-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine Traditional Name: 1-phenyl-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-3-9-17(10-4-1)20-18-11-5-6-12-19(18)21(23-22-20)25-16-15-24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-16H2/p+1