(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C16H30N3O2+ MolecularWeight: 296.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCCCCCC2

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCCCCCC2

InChI

InChI=1S/C16H29N3O2/c1-13(2)19-11-8-17-16(21)14(19)12-15(20)18-9-6-4-3-5-7-10-18/h13-14H,3-12H2,1-2H3,(H,17,21)/p+1/t14-/m1/s1