1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-methoxyphenyl)ethyl]ammonium Formula: C17H19N2OS+ MolecularWeight: 299.41056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)OC)[NH2+]CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2OS/c1-12(13-6-5-7-14(10-13)20-2)18-11-17-19-15-8-3-4-9-16(15)21-17/h3-10,12,18H,11H2,1-2H3/p+1/t12-/m0/s1