(2S)-2-(4-methoxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-methoxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(4-methoxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(4-methoxyphenyl)-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(4-methoxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(4-methoxyphenyl)-1-piperazino-2-piperidin-1-ium-1-yl-ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3O2/c1-23-16-7-5-15(6-8-16)17(20-11-3-2-4-12-20)18(22)21-13-9-19-10-14-21/h5-8,17,19H,2-4,9-14H2,1H3/p+1/t17-/m0/s1