1-[(R)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-pyridin-3-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(R)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-pyridin-3-yl-methyl]piperazin-4-ium Openeye Name: 1-[(R)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(R)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-(3-pyridinyl)methyl]piperazin-4-ium IUPAC Name: 1-[(R)-(3-benzyl-1H-imidazol-3-ium-2-yl)-pyridin-3-ylmethyl]piperazin-4-ium Traditional Name: 1-[(R)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(3-pyridyl)methyl]piperazin-4-ium Formula: C20H25N5+2 MolecularWeight: 335.446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CN=CC=C2)C3=[N+](C=CN3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CN=CC=C2)C3=[N+](C=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5/c1-2-5-17(6-3-1)16-25-14-11-23-20(25)19(18-7-4-8-22-15-18)24-12-9-21-10-13-24/h1-8,11,14-15,19,21H,9-10,12-13,16H2/p+2/t19-/m1/s1