2-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)pyrazinoyl]amino]ethyl-diisopropyl-ammonium Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2)C(C)C

InChI

InChI=1S/C20H25N5OS/c1-13(2)25(14(3)4)12-11-23-19(26)17-18(22-10-9-21-17)20-24-15-7-5-6-8-16(15)27-20/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)/p+1