(S)-(2-methylquinolin-4-yl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methanamine

Systemtic Name: (S)-(2-methylquinolin-4-yl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methanamine Openeye Name: (S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(2-methyl-4-quinolyl)methanamine CAS Name: (S)-(2-methyl-4-quinolinyl)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methanamine IUPAC Name: (S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(2-methylquinolin-4-yl)methanamine Traditional Name: [(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(2-methyl-4-quinolyl)methyl]amine Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(C3=[N+](C=CN3)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)[C@@H](C3=[N+](C=CN3)CC4=CC=CC=C4)N

InChI

InChI=1S/C21H20N4/c1-15-13-18(17-9-5-6-10-19(17)24-15)20(22)21-23-11-12-25(21)14-16-7-3-2-4-8-16/h2-13,20H,14,22H2,1H3/p+1/t20-/m0/s1