[2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(1-piperidyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(1-piperidinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-piperidino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCCCC3)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCCCC3)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C21H32N4OS/c1-15(14-21(2,3)4)8-11-26-18-12-17-19(13-16(18)24-22)27-20(23-17)25-9-6-5-7-10-25/h12-13,15,22H,5-11,14H2,1-4H3/p+1