[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone

Systemtic Name: [4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Openeye Name: [4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone CAS Name: [4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-(9H-xanthen-9-yl)methanone IUPAC Name: [4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Traditional Name: [4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H23N3O2/c28-24(27-15-13-26(14-16-27)17-18-7-5-6-12-25-18)23-19-8-1-3-10-21(19)29-22-11-4-2-9-20(22)23/h1-12,23H,13-17H2/p+1