N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-phthalazin-2-ium-1-amine

Systemtic Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-phthalazin-2-ium-1-amine Openeye Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-phthalazin-2-ium-1-amine CAS Name: N-[(S)-(2-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-methyl-1-phthalazin-2-iumamine IUPAC Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylphthalazin-2-ium-1-amine Traditional Name: [(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(4-methylphthalazin-2-ium-1-yl)amine Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)NC(C3=CC=CC=C3OC)C4=NC=CN4C

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N[C@@H](C3=CC=CC=C3OC)C4=NC=CN4C

InChI

InChI=1S/C21H21N5O/c1-14-15-8-4-5-9-16(15)20(25-24-14)23-19(21-22-12-13-26(21)2)17-10-6-7-11-18(17)27-3/h4-13,19H,1-3H3,(H,23,25)/p+1/t19-/m0/s1