1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3OS/c1-4-16-9-11-17(12-10-16)15(2)22-20(25)13-24(3)14-21-23-18-7-5-6-8-19(18)26-21/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1