3-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H22ClN4O5S+ MolecularWeight: 465.93048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H21ClN4O5S/c21-18-6-4-15(31-18)13-22-8-10-23(11-9-22)19(26)2-1-7-24-16-5-3-14(25(28)29)12-17(16)30-20(24)27/h3-6,12H,1-2,7-11,13H2/p+1