3-[5,6-dimethoxy-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[5,6-dimethoxy-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propylazanium Openeye Name: 3-[5,6-dimethoxy-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propylammonium CAS Name: 3-[5,6-dimethoxy-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzimidazolyl]propylammonium IUPAC Name: 3-[5,6-dimethoxy-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propylazanium Traditional Name: 3-[5,6-dimethoxy-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]propylammonium Formula: C18H30N4O2+2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC[NH+]3CCCC3)CCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC[NH+]3CCCC3)CCC[NH3+])OC

InChI

InChI=1S/C18H28N4O2/c1-23-16-12-14-15(13-17(16)24-2)22(18(20-14)6-5-7-19)11-10-21-8-3-4-9-21/h12-13H,3-11,19H2,1-2H3/p+2