3-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C20H30N4O3+2 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H28N4O3/c25-19(23-9-5-1-2-6-10-23)15-21-11-13-22(14-12-21)16-24-17-7-3-4-8-18(17)27-20(24)26/h3-4,7-8H,1-2,5-6,9-16H2/p+2