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

Systemtic Name: ethyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: ethyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: ethyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: ethyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: ethyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-3-19(9-10-21)12-14-5-4-8-20(14)17-18-15-7-6-13(2)11-16(15)22-17/h4-8,11,21H,3,9-10,12H2,1-2H3/p+1