4-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)phthalazin-2-ium-1-amine

Systemtic Name: 4-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)phthalazin-2-ium-1-amine Openeye Name: N-(3-isopropoxypropyl)-4-(4-methoxyphenyl)phthalazin-2-ium-1-amine CAS Name: 4-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)-1-phthalazin-2-iumamine IUPAC Name: 4-(4-methoxyphenyl)-N-(3-propan-2-yloxypropyl)phthalazin-2-ium-1-amine Traditional Name: 3-isopropoxypropyl-[4-(4-methoxyphenyl)phthalazin-2-ium-1-yl]amine Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=[NH+]N=C(C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)OCCCNC1=[NH+]N=C(C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2/c1-15(2)26-14-6-13-22-21-19-8-5-4-7-18(19)20(23-24-21)16-9-11-17(25-3)12-10-16/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,22,24)/p+1