1-[9-(2-methylphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine

Systemtic Name: 1-[9-(2-methylphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine Openeye Name: 1-[9-(o-tolyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine CAS Name: 1-[9-(2-methylphenyl)-6-(1-piperazin-1-iumylidene)-3-xanthenyl]piperazine IUPAC Name: 1-[9-(2-methylphenyl)-6-piperazin-1-ium-1-ylidenexanthen-3-yl]piperazine Traditional Name: 1-[9-(o-tolyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine Formula: C28H31N4O+ MolecularWeight: 439.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6

InChI

InChI=1S/C28H31N4O/c1-20-4-2-3-5-23(20)28-24-8-6-21(31-14-10-29-11-15-31)18-26(24)33-27-19-22(7-9-25(27)28)32-16-12-30-13-17-32/h2-9,18-19,29-30H,10-17H2,1H3/q+1