1-[(2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium

Systemtic Name: 1-[(2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(3-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(3-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(=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-22-17-7-5-6-16(14-17)18(21-10-3-2-4-11-21)15-20-12-8-19-9-13-20/h5-7,14,18-19H,2-4,8-13,15H2,1H3/p+2/t18-/m0/s1