3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5O2S/c1-3-28-14-18(22(30)17-9-8-16(2)25-23(17)28)24(31)29-12-10-27(11-13-29)15-21-26-19-6-4-5-7-20(19)32-21/h4-9,14H,3,10-13,15H2,1-2H3/p+1