3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: 3-butoxypropyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC=CN1C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC=CN1C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H27N3OS/c1-3-4-12-24-13-6-10-21-15-17-7-5-11-23(17)20-22-18-9-8-16(2)14-19(18)25-20/h5,7-9,11,14,21H,3-4,6,10,12-13,15H2,1-2H3/p+1