1-[4-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[(3S)-3-pyrrolidin-1-iumyl]oxy]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]piperazino]ethanone Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3CC[NH2+]C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)O[C@H]3CC[NH2+]C3

InChI

InChI=1S/C16H23N3O2/c1-13(20)18-8-10-19(11-9-18)14-2-4-15(5-3-14)21-16-6-7-17-12-16/h2-5,16-17H,6-12H2,1H3/p+1/t16-/m0/s1