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

Systemtic Name: (2-methoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxyphenyl)-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxyphenyl)-[4-(pyridin-1-ium-4-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=C1C(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

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