[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-2-yl)methanone

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-2-yl)methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-(1-oxido-2-pyridin-1-iumyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone Traditional Name: (4-m-anisylpiperazino)-(1-oxidopyridin-1-ium-2-yl)methanone Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O3/c1-24-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)18(22)17-7-2-3-8-21(17)23/h2-8,13H,9-12,14H2,1H3