dimethyl-(7-piperidin-1-yl-9-prop-2-ynoxy-phenoxazin-3-ylidene)azanium perchlorate

Systemtic Name: dimethyl-(7-piperidin-1-yl-9-prop-2-ynoxy-phenoxazin-3-ylidene)azanium perchlorate Openeye Name: dimethyl-[7-(1-piperidyl)-9-prop-2-ynoxy-phenoxazin-3-ylidene]ammonium perchlorate CAS Name: dimethyl-[7-(1-piperidinyl)-9-prop-2-ynoxy-3-phenoxazinylidene]ammonium perchlorate IUPAC Name: dimethyl-(7-piperidin-1-yl-9-prop-2-ynoxyphenoxazin-3-ylidene)azanium perchlorate Traditional Name: dimethyl-(7-piperidino-9-propargyloxy-phenoxazin-3-ylidene)ammonium perchlorate Formula: C22H24ClN3O6 MolecularWeight: 461.89546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC2=NC3=C(C=C(C=C3OCC#C)N4CCCCC4)OC2=C1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+](=C1C=CC2=NC3=C(C=C(C=C3OCC#C)N4CCCCC4)OC2=C1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H24N3O2.ClHO4/c1-4-12-26-20-14-17(25-10-6-5-7-11-25)15-21-22(20)23-18-9-8-16(24(2)3)13-19(18)27-21;2-1(3,4)5/h1,8-9,13-15H,5-7,10-12H2,2-3H3;(H,2,3,4,5)/q+1;/p-1