(3R)-1-[[1-(1-quinolin-1-ium-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3R)-1-[[1-(1-quinolin-1-ium-2-ylpiperidin-4-yl)-1,2,3-triazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3R)-1-[[1-(1-quinolin-1-ium-2-yl-4-piperidyl)triazol-4-yl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3R)-1-[[1-[1-(2-quinolin-1-iumyl)-4-piperidinyl]-4-triazolyl]methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3R)-1-[[1-(1-quinolin-1-ium-2-ylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3R)-1-[[1-(1-quinolin-1-ium-2-yl-4-piperidyl)triazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Formula: C21H28N6O+2 MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)CC2=CN(N=N2)C3CCN(CC3)C4=[NH+]C5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1O)CC2=CN(N=N2)C3CCN(CC3)C4=[NH+]C5=CC=CC=C5C=C4

InChI

InChI=1S/C21H26N6O/c28-19-9-10-25(15-19)13-17-14-27(24-23-17)18-7-11-26(12-8-18)21-6-5-16-3-1-2-4-20(16)22-21/h1-6,14,18-19,28H,7-13,15H2/p+2/t19-/m1/s1