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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H21N3O3/c1-2-24-17-8-4-3-7-16(17)19-10-12-20(13-11-19)18(22)15-6-5-9-21(23)14-15/h3-9,14H,2,10-13H2,1H3