(2R)-2-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-4-(phenylmethyl)morpholin-4-ium

Systemtic Name: (2R)-2-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-4-(phenylmethyl)morpholin-4-ium Openeye Name: (2R)-4-benzyl-2-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]morpholin-4-ium CAS Name: (2R)-2-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-4-(phenylmethyl)morpholin-4-ium IUPAC Name: (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholin-4-ium Traditional Name: (2R)-4-benzyl-2-[[(1-methyl-5-phenyl-imidazol-2-yl)thio]methyl]morpholin-4-ium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2C[NH+](CCO2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-24-21(19-10-6-3-7-11-19)14-23-22(24)27-17-20-16-25(12-13-26-20)15-18-8-4-2-5-9-18/h2-11,14,20H,12-13,15-17H2,1H3/p+1/t20-/m1/s1