1-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(2-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CN2CC[NH2+]CC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CN2CC[NH2+]CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H29N3O/c1-22-18-8-4-3-7-16(18)17(21-11-5-2-6-12-21)15-20-13-9-19-10-14-20/h3-4,7-8,17,19H,2,5-6,9-15H2,1H3/p+2/t17-/m0/s1