2,1,3-benzoxadiazol-5-ylmethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: benzofurazan-5-ylmethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC4=NON=C4C=C3

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H28N4O/c1-25-12-9-19(10-13-25)16-26(14-11-18-5-3-2-4-6-18)17-20-7-8-21-22(15-20)24-27-23-21/h2-8,15,19H,9-14,16-17H2,1H3/p+2