N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-phthalazin-2-ium-1-amine

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-phthalazin-2-ium-1-amine Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-phthalazin-2-ium-1-amine CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methyl-1-phthalazin-2-iumamine IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methylphthalazin-2-ium-1-amine Traditional Name: [(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(4-methylphthalazin-2-ium-1-yl)amine Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)NCC(C3=CC=CC=C3OC)[NH+]4CCCC4

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)NC[C@@H](C3=CC=CC=C3OC)[NH+]4CCCC4

InChI

InChI=1S/C22H26N4O/c1-16-17-9-3-4-10-18(17)22(25-24-16)23-15-20(26-13-7-8-14-26)19-11-5-6-12-21(19)27-2/h3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,23,25)/p+2/t20-/m0/s1