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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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