1,3-benzothiazol-2-ylmethyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2S/c1-16-11-13-18(14-12-16)22(17-7-3-2-4-8-17)23-15-21-24-19-9-5-6-10-20(19)25-21/h2-14,22-23H,15H2,1H3/p+1/t22-/m0/s1