(2R)-2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2R)-2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2R)-2-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2R)-2-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2R)-2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2R)-2-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O3S/c23-18(11-17-19(24)20-15-3-1-2-4-16(15)25-17)22-8-6-21(7-9-22)12-14-5-10-26-13-14/h1-5,10,13,17H,6-9,11-12H2,(H,20,24)/p+1/t17-/m1/s1