1-[3-[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-benzimidazole

Systemtic Name: 1-[3-[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-benzimidazole Openeye Name: 1-[3-[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-benzimidazole CAS Name: 1-[3-[4-(1-imidazolylmethyl)-1-piperidin-1-iumyl]propyl]-2-methylbenzimidazole IUPAC Name: 1-[3-[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]-2-methylbenzimidazole Traditional Name: 1-[3-[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]-2-methyl-benzimidazole Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCC(CC3)CN4C=CN=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCC(CC3)CN4C=CN=C4

InChI

InChI=1S/C20H27N5/c1-17-22-19-5-2-3-6-20(19)25(17)11-4-10-23-12-7-18(8-13-23)15-24-14-9-21-16-24/h2-3,5-6,9,14,16,18H,4,7-8,10-13,15H2,1H3/p+1