(2,6-dimethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2,6-dimethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2,6-dimethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2,6-dimethoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2,6-dimethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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