1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(2-thienylmethyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-isothiocyanatoethyl)-4-(3-pyrrolidinyl)-1-(thiophen-2-ylmethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)benzimidazol-1-ium-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(2-thenyl)benzimidazol-1-ium-2-yl]amine Formula: C19H22N5S2+ MolecularWeight: 384.54148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN=C=S)CC4=CC=CS4

Isomeric SMILES

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN=C=S)CC4=CC=CS4

InChI

InChI=1S/C19H22N5S2/c20-19-23-18-16(14-6-7-21-11-14)4-1-5-17(18)24(19,9-8-22-13-25)12-15-3-2-10-26-15/h1-5,10,14,21H,6-9,11-12H2,(H2,20,23)/q+1