(3S,4S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC(C(C2)O)N3CCOCC3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCOCC3)CN4C=CC=N4

InChI

InChI=1S/C20H28N4O3/c1-26-20-4-3-16(11-17(20)13-24-6-2-5-21-24)12-22-14-18(19(25)15-22)23-7-9-27-10-8-23/h2-6,11,18-19,25H,7-10,12-15H2,1H3/p+1/t18-,19-/m0/s1