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

Systemtic Name: (4-methoxyphenyl)-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-(2-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-(pyridin-1-ium-2-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=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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