4-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H22ClN3O3S/c21-18-6-5-15(28-18)13-22-9-11-23(12-10-22)19(25)7-8-24-16-3-1-2-4-17(16)27-14-20(24)26/h1-6H,7-14H2/p+1