(1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine

Systemtic Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine Openeye Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine CAS Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-(4-nitrobenzyl)amine Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O2S/c1-12(17-18-15-5-3-4-6-16(15)23-17)19(2)11-13-7-9-14(10-8-13)20(21)22/h3-10,12H,11H2,1-2H3/t12-/m1/s1