1-[9-(2-methylphenyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine

Systemtic Name: 1-[9-(2-methylphenyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine Openeye Name: 1-[9-(o-tolyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine CAS Name: 1-[9-(2-methylphenyl)-6-(1-pyrrolidin-1-iumylidene)-3-xanthenyl]pyrrolidine IUPAC Name: 1-[9-(2-methylphenyl)-6-pyrrolidin-1-ium-1-ylidenexanthen-3-yl]pyrrolidine Traditional Name: 1-[9-(o-tolyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine Formula: C28H29N2O+ MolecularWeight: 409.54266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCC4)C=C3OC5=C2C=CC(=C5)N6CCCC6

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCC4)C=C3OC5=C2C=CC(=C5)N6CCCC6

InChI

InChI=1S/C28H29N2O/c1-20-8-2-3-9-23(20)28-24-12-10-21(29-14-4-5-15-29)18-26(24)31-27-19-22(11-13-25(27)28)30-16-6-7-17-30/h2-3,8-13,18-19H,4-7,14-17H2,1H3/q+1