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

Systemtic Name: diethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: diethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: diethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: diethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: diethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3S/c1-4-19(5-2)12-14-7-6-10-20(14)17-18-15-9-8-13(3)11-16(15)21-17/h6-11H,4-5,12H2,1-3H3/p+1