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

Systemtic Name: 1-methyl-2-[(S)-piperazin-4-ium-1-yl(thiophen-2-yl)methyl]benzimidazole Openeye Name: 1-methyl-2-[(S)-piperazin-4-ium-1-yl(2-thienyl)methyl]benzimidazole CAS Name: 1-methyl-2-[(S)-1-piperazin-4-iumyl(thiophen-2-yl)methyl]benzimidazole IUPAC Name: 1-methyl-2-[(S)-piperazin-4-ium-1-yl(thiophen-2-yl)methyl]benzimidazole Traditional Name: 1-methyl-2-[(S)-piperazin-4-ium-1-yl(2-thienyl)methyl]benzimidazole Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC=CS3)N4CC[NH2+]CC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@@H](C3=CC=CS3)N4CC[NH2+]CC4

InChI

InChI=1S/C17H20N4S/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