(2S)-2-(phenylmethyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-(phenylmethyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium Openeye Name: (2S)-2-benzyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]morpholin-4-ium CAS Name: (2S)-2-(phenylmethyl)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]morpholin-4-ium IUPAC Name: (2S)-2-benzyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]morpholin-4-ium Traditional Name: (2S)-2-benzyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]morpholin-4-ium Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-2-7-18(8-3-1)15-20-17-23(13-14-25-20)16-19-9-6-12-24(19)21-10-4-5-11-22-21/h1-12,20H,13-17H2/p+1/t20-/m0/s1