[2-[bis(phenylmethyl)amino]-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-[bis(phenylmethyl)amino]-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(dibenzylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-[bis(phenylmethyl)amino]-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(dibenzylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(dibenzylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C27H31N4OS+ MolecularWeight: 459.62624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=[NH2+]

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=[NH2+]

InChI

InChI=1S/C27H30N4OS/c1-2-3-4-11-16-32-25-17-24-26(18-23(25)30-28)33-27(29-24)31(19-21-12-7-5-8-13-21)20-22-14-9-6-10-15-22/h5-10,12-15,17-18,28H,2-4,11,16,19-20H2,1H3/p+1