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

Systemtic Name: (3R)-3-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(1,3-benzoxazol-2-yl)-1-piperazinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(1,3-benzoxazol-2-yl)piperazino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N5O3/c1-14(2)25-8-7-21-19(27)16(25)13-18(26)23-9-11-24(12-10-23)20-22-15-5-3-4-6-17(15)28-20/h3-6,14,16H,7-13H2,1-2H3,(H,21,27)/p+1/t16-/m1/s1