1,3-benzothiazol-2-ylmethyl-[(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3-ethoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(3-ethoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(3-ethoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3-carbethoxy-4-methyl-2-quinolyl)methyl]-methyl-ammonium Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+](C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H23N3O2S/c1-4-28-23(27)22-15(2)16-9-5-6-10-17(16)24-19(22)13-26(3)14-21-25-18-11-7-8-12-20(18)29-21/h5-12H,4,13-14H2,1-3H3/p+1