1-(2-azanylethyl)-1-(pyrazin-2-ylmethyl)-4-pyrrolidin-3-yl-benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-azanylethyl)-1-(pyrazin-2-ylmethyl)-4-pyrrolidin-3-yl-benzimidazol-1-ium-2-amine Openeye Name: 1-(2-aminoethyl)-1-(pyrazin-2-ylmethyl)-4-pyrrolidin-3-yl-benzimidazol-1-ium-2-amine CAS Name: 1-(2-aminoethyl)-1-(2-pyrazinylmethyl)-4-(3-pyrrolidinyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-aminoethyl)-1-(pyrazin-2-ylmethyl)-4-pyrrolidin-3-ylbenzimidazol-1-ium-2-amine Traditional Name: [1-(2-aminoethyl)-1-(pyrazin-2-ylmethyl)-4-pyrrolidin-3-yl-benzimidazol-1-ium-2-yl]amine Formula: C18H24N7+ MolecularWeight: 338.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN)CC4=NC=CN=C4

Isomeric SMILES

C1CNCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN)CC4=NC=CN=C4

InChI

InChI=1S/C18H24N7/c19-5-9-25(12-14-11-22-7-8-23-14)16-3-1-2-15(13-4-6-21-10-13)17(16)24-18(25)20/h1-3,7-8,11,13,21H,4-6,9-10,12,19H2,(H2,20,24)/q+1