(S)-[2-(4-methoxyphenyl)quinolin-4-yl]-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine

Systemtic Name: (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Openeye Name: (S)-[2-(4-methoxyphenyl)-4-quinolyl]-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine CAS Name: (S)-[2-(4-methoxyphenyl)-4-quinolinyl]-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine IUPAC Name: (S)-[2-(4-methoxyphenyl)quinolin-4-yl]-(3-methyl-1H-imidazol-3-ium-2-yl)methanamine Traditional Name: [(S)-[2-(4-methoxyphenyl)-4-quinolyl]-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)N

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)N

InChI

InChI=1S/C21H20N4O/c1-25-12-11-23-21(25)20(22)17-13-19(14-7-9-15(26-2)10-8-14)24-18-6-4-3-5-16(17)18/h3-13,20H,22H2,1-2H3/p+1/t20-/m0/s1