[5,6-dimethoxy-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methylazanium

Systemtic Name: [5,6-dimethoxy-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methylazanium Openeye Name: [5,6-dimethoxy-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methylammonium CAS Name: [5,6-dimethoxy-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]methylammonium IUPAC Name: [5,6-dimethoxy-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methylazanium Traditional Name: [5,6-dimethoxy-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methylammonium Formula: C17H28N4O2+2 MolecularWeight: 320.42982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC[NH+]3CCCCC3)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC[NH+]3CCCCC3)C[NH3+])OC

InChI

InChI=1S/C17H26N4O2/c1-22-15-10-13-14(11-16(15)23-2)21(17(12-18)19-13)9-8-20-6-4-3-5-7-20/h10-11H,3-9,12,18H2,1-2H3/p+2