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

Systemtic Name: [2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-3-yl]methyl-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridinyl]methyl-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-3-yl]methyl-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-3-pyridyl]methyl-[[1-(3-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=CN=CC=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=N2)C[NH2+]CC3=CC=CN3C4=CN=CC=C4)O

InChI

InChI=1S/C21H25N5O/c27-20-8-4-11-25(16-20)21-17(5-1-10-24-21)13-23-15-19-7-3-12-26(19)18-6-2-9-22-14-18/h1-3,5-7,9-10,12,14,20,23,27H,4,8,11,13,15-16H2/p+1/t20-/m0/s1