1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-methyl-ammonium Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c1-25(14-21-24-18-8-4-5-9-19(18)27-21)13-20(26)22-11-10-15-12-23-17-7-3-2-6-16(15)17/h2-9,12,23H,10-11,13-14H2,1H3,(H,22,26)/p+1