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

Systemtic Name: (1-methylbenzimidazol-2-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl-[(1-methylbenzimidazol-2-yl)methyl]ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl-[(1-methyl-2-benzimidazolyl)methyl]ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl-[(1-methylbenzimidazol-2-yl)methyl]azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl-[(1-methylbenzimidazol-2-yl)methyl]ammonium Formula: C20H27N5O+2 MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH2+]CC3=C([NH+]=CC=C3)N4CCCC(C4)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH2+]CC3=C([NH+]=CC=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C20H25N5O/c1-24-18-9-3-2-8-17(18)23-19(24)13-21-12-15-6-4-10-22-20(15)25-11-5-7-16(26)14-25/h2-4,6,8-10,16,21,26H,5,7,11-14H2,1H3/p+2/t16-/m0/s1