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

Systemtic Name: (3-methoxyphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N3O2+2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=C[NH+]=CC=C3

InChI

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