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

Systemtic Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(thiazol-4-ylmethyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-isothiocyanatoethyl)-4-(3-pyrrolidinyl)-1-(4-thiazolylmethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-1-ium-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)-4-pyrrolidin-3-yl-1-(thiazol-4-ylmethyl)benzimidazol-1-ium-2-yl]amine Formula: C18H21N6S2+ MolecularWeight: 385.52954

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN=C=S)CC4=CSC=N4

Isomeric SMILES

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN=C=S)CC4=CSC=N4

InChI

InChI=1S/C18H21N6S2/c19-18-23-17-15(13-4-5-20-8-13)2-1-3-16(17)24(18,7-6-21-11-25)9-14-10-26-12-22-14/h1-3,10,12-13,20H,4-9H2,(H2,19,23)/q+1