(3S,4S)-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-4-morpholino-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-4-morpholino-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]pyrrolidin-1-ium-3-ol Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CC(C(C3)O)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3C[C@@H]([C@H](C3)O)N4CCOCC4

InChI

InChI=1S/C20H26N4O2/c1-15-3-2-4-17(9-15)20-21-10-16(11-22-20)12-23-13-18(19(25)14-23)24-5-7-26-8-6-24/h2-4,9-11,18-19,25H,5-8,12-14H2,1H3/p+1/t18-,19-/m0/s1