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

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: (4-m-anisylpiperazin-4-ium-1-yl)-(3-pyridyl)methanone Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3O2/c1-23-17-6-2-4-15(12-17)14-20-8-10-21(11-9-20)18(22)16-5-3-7-19-13-16/h2-7,12-13H,8-11,14H2,1H3/p+1