1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]-methyl-ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3OS/c1-15(25(2)14-21-24-19-9-5-6-10-20(19)27-21)22(26)23-18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1