6-nitro-2-(3-piperidin-1-ylpropyl)-1H-benzimidazole hydrate hydrochloride

Systemtic Name: 6-nitro-2-(3-piperidin-1-ylpropyl)-1H-benzimidazole hydrate hydrochloride Openeye Name: 6-nitro-2-[3-(1-piperidyl)propyl]-1H-benzimidazole hydrate hydrochloride CAS Name: 6-nitro-2-[3-(1-piperidinyl)propyl]-1H-benzimidazole hydrate hydrochloride IUPAC Name: 6-nitro-2-(3-piperidin-1-ylpropyl)-1H-benzimidazole hydrate hydrochloride Traditional Name: 6-nitro-2-(3-piperidinopropyl)-1H-benzimidazole hydrate hydrochloride Formula: C15H23ClN4O3 MolecularWeight: 342.82112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1CCN(CC1)CCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C15H20N4O2.ClH.H2O/c20-19(21)12-6-7-13-14(11-12)17-15(16-13)5-4-10-18-8-2-1-3-9-18;;/h6-7,11H,1-5,8-10H2,(H,16,17);1H;1H2