(3-methoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

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