[(2S)-1-[2-[(phenylmethyl)-propan-2-yl-amino]-1,3-thiazol-4-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(phenylmethyl)-propan-2-yl-amino]-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[2-[benzyl(isopropyl)amino]thiazol-4-yl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[2-[(phenylmethyl)-propan-2-ylamino]-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[benzyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-2-[2-[benzyl(isopropyl)amino]thiazol-4-yl]-1-methyl-ethyl]ammonium Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=NC(=CS2)CC(C)[NH3+]

Isomeric SMILES

C[C@@H](CC1=CSC(=N1)N(CC2=CC=CC=C2)C(C)C)[NH3+]

InChI

InChI=1S/C16H23N3S/c1-12(2)19(10-14-7-5-4-6-8-14)16-18-15(11-20-16)9-13(3)17/h4-8,11-13H,9-10,17H2,1-3H3/p+1/t13-/m0/s1