5-[4-(2-ethoxyphenyl)-1-piperazin-1-yl-butyl]-4-propan-2-yl-1,3-oxazolidin-3-ium 3-oxide

Systemtic Name: 5-[4-(2-ethoxyphenyl)-1-piperazin-1-yl-butyl]-4-propan-2-yl-1,3-oxazolidin-3-ium 3-oxide Openeye Name: 5-[4-(2-ethoxyphenyl)-1-piperazin-1-yl-butyl]-4-isopropyl-oxazolidin-3-ium 3-oxide CAS Name: 5-[4-(2-ethoxyphenyl)-1-(1-piperazinyl)butyl]-4-propan-2-yloxazolidin-3-ium 3-oxide IUPAC Name: 5-[4-(2-ethoxyphenyl)-1-piperazin-1-ylbutyl]-4-propan-2-yl-1,3-oxazolidin-3-ium 3-oxide Traditional Name: 4-isopropyl-5-(4-o-phenetyl-1-piperazino-butyl)oxazolidin-3-ium 3-oxide Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCC(C2C([N+](=O)CO2)C(C)C)N3CCNCC3

Isomeric SMILES

CCOC1=CC=CC=C1CCCC(C2C([N+](=O)CO2)C(C)C)N3CCNCC3

InChI

InChI=1S/C22H36N3O3/c1-4-27-20-11-6-5-8-18(20)9-7-10-19(24-14-12-23-13-15-24)22-21(17(2)3)25(26)16-28-22/h5-6,8,11,17,19,21-23H,4,7,9-10,12-16H2,1-3H3/q+1