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

Systemtic Name: 1-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(3-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(=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-21-16-6-4-5-15(13-16)17(20-9-2-3-10-20)14-19-11-7-18-8-12-19/h4-6,13,17-18H,2-3,7-12,14H2,1H3/p+2/t17-/m0/s1