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

Systemtic Name: 1-(phenylmethyl)-2-[(S)-piperazin-4-ium-1-yl(thiophen-2-yl)methyl]benzimidazole Openeye Name: 1-benzyl-2-[(S)-piperazin-4-ium-1-yl(2-thienyl)methyl]benzimidazole CAS Name: 1-(phenylmethyl)-2-[(S)-1-piperazin-4-iumyl(thiophen-2-yl)methyl]benzimidazole IUPAC Name: 1-benzyl-2-[(S)-piperazin-4-ium-1-yl(thiophen-2-yl)methyl]benzimidazole Traditional Name: 1-benzyl-2-[(S)-piperazin-4-ium-1-yl(2-thienyl)methyl]benzimidazole Formula: C23H25N4S+ MolecularWeight: 389.5364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=CS2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC=CS2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4S/c1-2-7-18(8-3-1)17-27-20-10-5-4-9-19(20)25-23(27)22(21-11-6-16-28-21)26-14-12-24-13-15-26/h1-11,16,22,24H,12-15,17H2/p+1/t22-/m1/s1