[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridinyl]methyl-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-3-yl]methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-3-pyridyl]methyl-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)C[NH2+]CC3=CC=CN3C4=CC=CC=N4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=N2)C[NH2+]CC3=CC=CN3C4=CC=CC=N4)O

InChI

InChI=1S/C21H25N5O/c27-19-8-5-12-25(16-19)21-17(6-3-11-24-21)14-22-15-18-7-4-13-26(18)20-9-1-2-10-23-20/h1-4,6-7,9-11,13,19,22,27H,5,8,12,14-16H2/p+1/t19-/m0/s1