2-methyl-1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propyl]benzimidazole

Systemtic Name: 2-methyl-1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propyl]benzimidazole Openeye Name: 2-methyl-1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]propyl]benzimidazole CAS Name: 2-methyl-1-[3-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]propyl]benzimidazole IUPAC Name: 2-methyl-1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propyl]benzimidazole Traditional Name: 2-methyl-1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]propyl]benzimidazole Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C21H26N4/c1-17-23-19-9-2-3-11-21(19)25(17)15-7-14-24-13-5-4-10-20(24)18-8-6-12-22-16-18/h2-3,6,8-9,11-12,16,20H,4-5,7,10,13-15H2,1H3/p+1/t20-/m0/s1