N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCCCC1)CC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CN(CCC[NH+]1CCCCC1)CC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O/c1-21(11-8-14-22-12-6-3-7-13-22)15-17-19-18(20-23-17)16-9-4-2-5-10-16/h2,4-5,9-10H,3,6-8,11-15H2,1H3/p+1