1,3-benzothiazol-2-ylmethyl-[(2,4,6-trimethylphenyl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2,4,6-trimethylphenyl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2,4,6-trimethylphenyl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2,4,6-trimethylphenyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2,4,6-trimethylphenyl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(2,4,6-trimethylbenzyl)ammonium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C[NH2+]CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C[NH2+]CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H20N2S/c1-12-8-13(2)15(14(3)9-12)10-19-11-18-20-16-6-4-5-7-17(16)21-18/h4-9,19H,10-11H2,1-3H3/p+1