(3S,4S)-4-morpholin-4-yl-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-4-morpholin-4-yl-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[4-(4-hydroxybut-1-ynyl)benzyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2C[NH+](CC2O)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

C1COCCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C19H26N2O3/c22-10-2-1-3-16-4-6-17(7-5-16)13-20-14-18(19(23)15-20)21-8-11-24-12-9-21/h4-7,18-19,22-23H,2,8-15H2/p+1/t18-,19-/m0/s1