(2S)-2-(phenylmethyl)-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-(phenylmethyl)-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholin-4-ium Openeye Name: (2S)-2-benzyl-4-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]morpholin-4-ium CAS Name: (2S)-2-(phenylmethyl)-4-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]morpholin-4-ium IUPAC Name: (2S)-2-benzyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholin-4-ium Traditional Name: (2S)-2-benzyl-4-[(2-pyrrolidinothiazol-5-yl)methyl]morpholin-4-ium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCOC(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC=C(S2)C[NH+]3CCO[C@H](C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H25N3OS/c1-2-6-16(7-3-1)12-17-14-21(10-11-23-17)15-18-13-20-19(24-18)22-8-4-5-9-22/h1-3,6-7,13,17H,4-5,8-12,14-15H2/p+1/t17-/m0/s1