2-[(S)-furan-2-yl(piperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazole

Systemtic Name: 2-[(S)-furan-2-yl(piperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazole Openeye Name: 2-[(S)-2-furyl(piperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazole CAS Name: 2-[(S)-2-furanyl(1-piperazin-4-iumyl)methyl]-1-methylbenzimidazole IUPAC Name: 2-[(S)-furan-2-yl(piperazin-4-ium-1-yl)methyl]-1-methylbenzimidazole Traditional Name: 2-[(S)-2-furyl(piperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazole Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC=CO3)N4CC[NH2+]CC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@@H](C3=CC=CO3)N4CC[NH2+]CC4

InChI

InChI=1S/C17H20N4O/c1-20-14-6-3-2-5-13(14)19-17(20)16(15-7-4-12-22-15)21-10-8-18-9-11-21/h2-7,12,16,18H,8-11H2,1H3/p+1/t16-/m1/s1