2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-yl-piperazin-1-ium-2-yl]ethanamine hydrochloride

Systemtic Name: 2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-yl-piperazin-1-ium-2-yl]ethanamine hydrochloride Openeye Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridyl)piperazin-1-ium-2-yl]ethanamine hydrochloride CAS Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridinyl)-2-piperazin-1-iumyl]ethanamine hydrochloride IUPAC Name: 2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-ylpiperazin-1-ium-2-yl]ethanamine hydrochloride Traditional Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridyl)piperazin-1-ium-2-yl]ethylamine hydrochloride Formula: C23H29ClN5O+ MolecularWeight: 426.96226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=N3)C4=CC=CC=N4.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=N3)C4=CC=CC=N4.Cl

InChI

InChI=1S/C23H28N5O.ClH/c1-29-21-9-3-2-8-20(21)27-16-17-28(19(18-27)12-13-24,22-10-4-6-14-25-22)23-11-5-7-15-26-23;/h2-11,14-15,19H,12-13,16-18,24H2,1H3;1H/q+1;