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

Systemtic Name: 1-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CN2CC[NH2+]CC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CN2CC[NH2+]CC2)[NH+]3CCCC3

InChI

InChI=1S/C17H27N3O/c1-21-17-7-3-2-6-15(17)16(20-10-4-5-11-20)14-19-12-8-18-9-13-19/h2-3,6-7,16,18H,4-5,8-14H2,1H3/p+2/t16-/m0/s1