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

Systemtic Name: 2-hydroxyethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](CCO)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-17-9-10-20-21(14-17)27-22(23-20)25-11-5-8-19(25)16-24(12-13-26)15-18-6-3-2-4-7-18/h2-11,14,26H,12-13,15-16H2,1H3/p+1