2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate

Systemtic Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Openeye Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate CAS Name: 2-(4-methoxyphenyl)-4-(4-methyl-1-piperazin-1-iumylidene)-1-benzopyran-6-ol perchlorate IUPAC Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Traditional Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Formula: C21H23ClN2O7 MolecularWeight: 450.86952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=C2C=C(OC3=C2C=C(C=C3)O)C4=CC=C(C=C4)OC)CC1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN1CC[N+](=C2C=C(OC3=C2C=C(C=C3)O)C4=CC=C(C=C4)OC)CC1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H22N2O3.ClHO4/c1-22-9-11-23(12-10-22)19-14-21(15-3-6-17(25-2)7-4-15)26-20-8-5-16(24)13-18(19)20;2-1(3,4)5/h3-8,13-14H,9-12H2,1-2H3;(H,2,3,4,5)