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

Systemtic Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H30N4O4/c27-20(9-12-26-18-7-3-4-8-19(18)30-22(26)29)25-15-13-23(14-16-25)17-21(28)24-10-5-1-2-6-11-24/h3-4,7-8H,1-2,5-6,9-17H2/p+1