5-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethyl]-3-methyl-isoxazole CAS Name: 5-[2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]ethyl]-3-methylisoxazole IUPAC Name: 5-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethyl]-3-methyl-isoxazole Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CC[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=NOC(=C1)CC[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H22N4O/c1-13-11-15(23-21-13)8-10-22-9-4-5-14(12-22)18-19-16-6-2-3-7-17(16)20-18/h2-3,6-7,11,14H,4-5,8-10,12H2,1H3,(H,19,20)/p+1/t14-/m0/s1