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

Systemtic Name: 1-[(S)-furan-2-yl-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(2-furyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-2-furanyl-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(furan-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-(2-furyl)methyl]piperazin-4-ium Formula: C19H24N4O+2 MolecularWeight: 324.42006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=CO2)C3=[N+](C=CN3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC=CO2)C3=[N+](C=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O/c1-2-5-16(6-3-1)15-23-13-10-21-19(23)18(17-7-4-14-24-17)22-11-8-20-9-12-22/h1-7,10,13-14,18,20H,8-9,11-12,15H2/p+2/t18-/m1/s1