(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-3-ol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2O)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCN(C[C@H]2O)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C21H30N4O/c26-21-17-23(14-9-20(21)24-11-3-1-2-4-12-24)16-19-8-6-13-25(19)18-7-5-10-22-15-18/h5-8,10,13,15,20-21,26H,1-4,9,11-12,14,16-17H2/p+1/t20-,21-/m1/s1