2-butyl-4-(1-butylpiperidin-1-ium-1-yl)-1,3-benzoxazole

Systemtic Name: 2-butyl-4-(1-butylpiperidin-1-ium-1-yl)-1,3-benzoxazole Openeye Name: 2-butyl-4-(1-butylpiperidin-1-ium-1-yl)-1,3-benzoxazole CAS Name: 2-butyl-4-(1-butyl-1-piperidin-1-iumyl)-1,3-benzoxazole IUPAC Name: 2-butyl-4-(1-butylpiperidin-1-ium-1-yl)-1,3-benzoxazole Traditional Name: 2-butyl-4-(1-butylpiperidin-1-ium-1-yl)-1,3-benzoxazole Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2O1)[N+]3(CCCCC3)CCCC

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2O1)[N+]3(CCCCC3)CCCC

InChI

InChI=1S/C20H31N2O/c1-3-5-13-19-21-20-17(11-10-12-18(20)23-19)22(14-6-4-2)15-8-7-9-16-22/h10-12H,3-9,13-16H2,1-2H3/q+1